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Coming Home (The Soldiers song)
Background & Promotion & Formats
Gary Chilton, Richie Maddocks and Ryan Idzi. Promotion The Soldiers' first interview was with The Sun. Readers were invited to log on to The Sun's website to download the track for free for 48 hours. The Soldiers' first official UK TV appearance to talk about Coming Home, was with Adam Boulton on SkyNews on Sunday 18 October 2009. The Soldiers also appeared on 'The Alan Titchmarsh Show and GMTV promoting the single. Formats The single was made available as a free download via The Sun's website. The version given away was the album version, which contains an instrumental string
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Coming Home (The Soldiers song)
Formats
section. The length of this version is 4 minutes and 8 seconds. The download version which was made available to major download sites such as iTunes, Amazon and Play.com cut the string instrumental and a portion of the introduction and lasts 2 minutes and 56 seconds.
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Commentary (philology)
Commentary (philology) In philology, a commentary is a line-by-line or even word-by-word explication usually attached to an edition of a text in the same or an accompanying volume. It may draw on methodologies of close reading and literary criticism, but its primary purpose is to elucidate the language of the text and the specific culture that produced it, both of which may be foreign to the reader. Such a commentary usually takes the form of footnotes, endnotes, or separate text cross-referenced by line, paragraph or page. Means of providing commentary on the language of the text include notes on textual criticism,
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Commentary (philology)
syntax and semantics, and the analysis of rhetoric, literary tropes, and style. The aim is to remove, lessen or point out linguistic obstacles to reading and understanding the text. If a text is historical, or is produced within a culture assumed to be of limited familiarity to a reader, a broader range of issues may require elucidation. These include, but are by no means limited to, biographical data pertaining to the author, historical events, customs and laws, technical terminology and facts of daily life, religious beliefs and philosophical perspectives, literary allusions, geographical settings, and cross-references to related passages in the same
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Commentary (philology)
work, other works by the author, or sources used by the author. Some commentaries from Classical Antiquity or the Middle Ages (more strictly referred to as scholia) are a valuable source of information otherwise unknown, including references to works that are now lost. Jerome provides a list of several commentaries that were in use during his days as a student in the 350s A.D. One of the most used of the ancient scholia today is that of Servius on Vergil’s Aeneid, written in the 4th century. The production of commentaries began to flourish in the 16th century as part of the
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Commentary (philology)
Mesopotamian Commentaries
humanist project to recover the texts of antiquity, with its related boom in publishing. In the modern era, a commentary differs from an annotated edition aimed at students or the casual reader in that it attempts to address an exhaustive range of scholarly questions, many of which may be of concern or interest primarily to specialists. The commentator may take a position on variant readings of the text or on a point of scholarly dispute, but arguments are usually succinct, a paragraph or less than a page in length. Mesopotamian Commentaries The earliest examples, and also one of the largest
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Commentary (philology)
Mesopotamian Commentaries
corpora of text commentaries from the ancient world, comes from first-millennium-BCE Mesopotamia (modern Iraq). Known from over 860 manuscripts, the majority of which date to the period 700-100 BCE, most of these commentaries explore numerous types of texts, including literary works (such as the Babylonian Epic of Creation), medical treatises, magical texts, ancient dictionaries, and law collections (the Code of Hammurabi). Most of them, however, comment on divination treatises, in particular treatises that predict the future from the appearance and movement of celestial bodies on the one hand (Enūma Anu Enlil), and from the appearance of a sacrificed sheep’s liver
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Commentary (philology)
Mesopotamian Commentaries
on the other (Bārûtu). As with the majority of the thousands of texts from the ancient Near East that have survived to the present day, Mesopotamian text commentaries are written on clay tablets in cuneiform script. Text commentaries are written in the East Semitic language of Akkadian, but due to the influence of lexical lists written in Sumerian language on cuneiform scholarship, they often contain Sumerian words or phrases as well. Cuneiform commentaries are important because they provide information about Mesopotamian languages and culture that are not available elsewhere in the cuneiform record. To give but one example, the pronunciation of the
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Commentary (philology)
Mesopotamian Commentaries
cryptically written name of Gilgamesh, the hero of the Epic of Gilgamesh, was discovered in a cuneiform commentary on a medical text. However, the significance of cuneiform commentaries extends beyond the light they shed on specific details of Mesopotamian civilization. They open a window onto what the concerns of the Mesopotamian literate elite were when they read some of the most widely studied texts in the Mesopotamian intellectual tradition, a perspective that is important for “seeing things their way.” Finally, cuneiform commentaries are also the earliest examples of textual interpretation. It has been repeatedly argued that they influenced rabbinical exegesis.
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Commentary (philology)
Mesopotamian Commentaries
See Akkadian Commentaries and Early Hebrew Exegesis The publication and interpretation of these texts began in the mid-nineteenth century, with the discovery of the royal Assyrian libraries at Nineveh, from which ca. 454 text commentaries have been recovered. The study of cuneiform commentaries is, however, far from complete. It is the subject of on-going research by the small, international community of scholars who specialize in the field of Assyriology.
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Commissary Corps of the Swedish Armed Forces
History
Commissary Corps of the Swedish Armed Forces Commissary Corps of the Swedish Armed Forces (Swedish: Försvarets intendentkår, Intk) was a joint administrative corps for ordnance officers of the Swedish Armed Forces which existed from 1973 to 1990. History On 1 October 1973, the Swedish Army Ordnance Corps (ordnance officers) was amalgamated with the Quartermaster Corps of the Swedish Armed Forces. The new authority was named Försvarets intendentkår ("Commissary Corps of the Swedish Armed Forces"). At the Commissary Staff (Intendentkårsstaben), training and recruitment issues were mainly handled, personnel and service appointments, war placements etc. Entry into the Commissary Corps required the
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Commissary Corps of the Swedish Armed Forces
History
completion of training at the Swedish Army Quartermaster School (Intendenturförvaltningsskolan, IntS), from 1977 named Försvarets förvaltningsskola (FörvS). On 1 June 1983, the Commissary Corps was disbanded as its own authority and was reorganized into a section in the Defence Staff's Planning Staff, the Commissary Section (Intendentkårssektionen).
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Commissioner v. LoBue
Facts
Commissioner v. LoBue Facts Respondent's company offered stock options to its employees based on their performance and continued employment. Respondent exercised the options offered. In recognition of his "contribution and efforts in making the operation of the Company successful," a corporation gave an employee options to purchase stock in the corporation. The options were nontransferable and were contingent upon continued employment. After some time had elapsed and the value of the shares had increased, the employee exercised the options and purchased the stock at less than the then current market price. For some of the shares, he gave the employer a
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Commissioner v. LoBue
Facts & Tax return & Commissioner of Internal Revenue & Tax court & Third Circuit
promissory note for the option price; but the shares were not delivered until the notes were paid in cash, when the value of the shares had increased. Tax return The employee did not report as taxable income any of the gain resulting from the exercise of the option Commissioner of Internal Revenue The Internal Revenue Service levied a deficiency assessment against him. Tax court Respondent appealed and the Tax Court held that the options were granted to provide respondent with a proprietary interest in the company and not as compensation and they were not taxable. Third Circuit The Third Circuit
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Commissioner v. LoBue
Third Circuit & Opinion of the court
affirmed a Tax Court decision that found stock options exercised by respondent represented a proprietary interest in a corporation and not compensation for services. Opinion of the court On certiorari, reversed and remanded. Black wrote for a 5-4 Court. The Court held that the interpretation given to § 22(a) of the Internal Revenue Code of 1939 was too narrow and that the options were compensation, includible as taxable income. The matter was reversed and remanded to the appellate court with instructions to remand to the lower court for further proceedings to determine the question of whether delivery of a binding
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Commissioner v. LoBue
Opinion of the court
promissory note marked the completion of the stock purchase for purposes of measuring taxable gain. The Court held that the transfer of stock to the employee for less than its value was taxable compensation, notwithstanding the employer's purpose to confer a proprietary interest on the employee. The majority held, further, that the employee's gain was realized in the year that the options were exercised, and was to be measured as of the time of the exercise of the options, and not of the grant thereof. Held: Under the Internal Revenue Code of 1939, as amended, the resulting gain to the employee was taxable
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Commissioner v. LoBue
Opinion of the court
as income received at the time he exercised the option and purchased the stock, and his taxable gain should be measured as of the time when the options were exercised and not as of the time when they were granted. pp. 244–250. (a) In defining "gross income" as broadly as it did in § 22 (a) of the Internal Revenue Code of 1939, as amended, Congress intended to tax all gains except those specifically exempted. P. 246. (b) The only exemption that could possibly apply to these transactions is the gift exemption of § 22 (b)(3), and these transactions were not "gifts" in
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Commissioner v. LoBue
Opinion of the court
the statutory sense. pp. 246–247. (c) There is no statutory basis for excluding such transactions from "gross income" on the ground that one purpose of the employer was to confer on the employee a "proprietary interest" in the business. P. 247. (d) The employee received a substantial economic and financial benefit from his employer, prompted by the employer's desire to get better work from the employee, and this is "compensation for personal service" within the meaning of § 22 (a). P. 247. (e) In these circumstances, the employee "realized" a taxable gain when he purchased the stock. P. 248. (f) The employee's taxable gain should
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Commissioner v. LoBue
Opinion of the court & Concurrence
be measured by the difference between the option price and the market value of the shares as of the time when the options were exercised and not as of the time when the options were granted. pp. 248–249. (g) On remand, the Tax Court may consider the question, not previously passed on, whether delivery of a promissory note for the purchase price marked the completion of the stock purchase and whether the gain should be measured as of that date or as of the date the note was paid. P. 250. Concurrence Frankfurter and Clark, concurring in the judgment of the majority
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Commissioner v. LoBue
Concurrence & Concurrence in part, dissent in part
and in its opinion on the main issue, stated that, since the time when the employee acquired the taxable interest was not an issue either before the Tax Court or the Court of Appeals, the majority had erred in departing from the general rule whereby the Supreme Court abstains from passing on such an issue in a tax case when that issue was not raised below. Concurrence in part, dissent in part Harlan, joined by Burton, concurring in part and dissenting in part, took the view that the taxable event was the grant of the options, and not their exercise,
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Commissioner v. LoBue
Concurrence in part, dissent in part
with the result that the gain to the taxpayer was to be measured as of the date of the grant of the options.
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Communicative disorders assistant
Canadian regulation
Communicative disorders assistant Canadian regulation In Canada, Communicative Disorder Assistants are not regulated, although the Audiologists and Speech-language Pathologists who supervise them typically are regulated under the College of Audiologists and Speech-Language Pathologists of Ontario (CASLPO) or the Canadian Association of Speech-Language Pathologists and Audiologists (CASLPA). The training, supervision, and use of CDAs is specified within these organizations. The Communicative Disorders Assistant Association of Canada (CDAAC) recognizes for membership only students or graduates of approved Communicative Disorders Assistant programs within Canada (those that include coursework in all areas of communication and prepare students to work with clients of any age).
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Communities Organized for Public Service
Communities Organized for Public Service Communities Organized for Public Service (COPS) is a coalition of non-partisan, grassroots community pressure groups based in San Antonio, Texas. It is an affiliate of the Industrial Areas Foundation (IAF), a group dedicated to grassroots community organizing that was developed by Saul Alinsky in Chicago during the 1930s. Founded in 1974, COPS’ mission is to secure specific, concrete standard of living improvements for neighborhoods traditionally neglected by city leaders through relational organizing. Though advocating primarily for the interests of lower-middle class and working classMexican-Americans on the city's west and south sides, COPS avoids the label of
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Communities Organized for Public Service
Goals and methods
civil rights organization, instead projecting itself as an agent for fair and equitabledistribution of city resources and services. COPS had many different leaders throughout the years but even women have run this organization which back in the day was unheard of. Many women of diverse communities didn't speak up on actions that affected their communities so COPS was a way for them to be vocal outside of their comfort zones which was church. COPS success in this endeavor to date isremarkable, amounting to over one billion dollars in group-sponsored projects andinitiatives. Goals and methods One of its stated aims is
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Communities Organized for Public Service
Goals and methods
to create give and take relationships between diverse interest groups in the greater community that can lead to the realization of goals defined within discrete neighborhoods. On the other hand, relational organizing leads to initiatives that benefit the larger community, such as economic development, aquifer protection, infrastructure development, and improvement of educational opportunities. Inherent in this process is the development of local leaders, who work to express the values and interests of the membership. The role of IAF and COPS organizers is to identify natural community leaders and stimulate their growth. In this sense, COPS and the IAF represent an impulse for the practice of genuine democratic
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Communities Organized for Public Service
Goals and methods & Membership and tactics
participation in the American political system. Saul Alinsky the creator of IAF believed in creating organizations to help better the community and it's involvement by uniting them with a common issue they dealt with throughout their lives. That creates more involvement within the community because more people are likely to come together to join and conquer whatever problem they face. Alinsky is known to be the secret holder to successful organizations through his tactics because many organizations he has created are still existing till this day. Membership and tactics C.O.P.S. members typically present as social conservatives, professing deep beliefs in family,
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Communities Organized for Public Service
Membership and tactics
community, and religion. However, their actions, especially in the early days of the organization, were often confrontational. Back at the beginning days of COPS if you did not agree with what the Catholic church's beliefs you were frowned upon. Mexican American religion is very catholic based but this is a time they had a change to speak and make actions and that is why they put the church beliefs to the side. On numerous occasions, they faced off with the city council, other politicians or functionaries, and business leaders to demand that these mainly Anglo elites address the group's concerns.
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Communities Organized for Public Service
Membership and tactics
C.O.P.S. organizers carefully planned the actions for effect and insured that media was present to witness the events. This has to be because they had many different people in charge and many different leaders and so without just one they just went based off one strong organizer and that is why they were able to stay afloat. They would help greatly with the neighborhood problems also which you would not have known they were very broad in a sense. They helped pave streets to keep the people from getting hurt. They helped in many neighborhoods where it was very Mexican
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Communities Organized for Public Service
Membership and tactics
American based and so that is how they were able to advocate and come together for the desperate need of a better neighborhood and the basic rights of getting someone to pave their streets. As C.O.P.S. achieved success in its initiatives and gained access to political power, it modified its tactics, preferring to approach city and business leaders in a less dramatic fashion. However, one feature of C.O.P.S. methods that remains is the accountability session, in which the group confronts local politicians and holds them to account for their failure or success in keeping promises.
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Community-driven development
Community-driven development Community-driven development (CDD) is a development initiative that provides control of the development process, resources and decision making authority directly to groups in the community. The underlying assumption of CDD projects are that communities are the best judges of how their lives and livelihoods can be improved and, if provided with adequate resources and information, they can organize themselves to provide for their immediate needs. CDD projects work by providing poor communities with direct funding for development with the communities then deciding how to spend the money. Lastly, the community plans and builds the project and takes responsibility
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Community-driven development
CDD vs. CBD
for monitoring its progress. CDD vs. CBD Community-driven development is derived from community-based development (CBD) which can include a much broader range of projects. For example, CBD projects can include everything from simple information sharing to social, economic and political empowerment of community groups. However, CDD projects fit on the empowerment end of CBD by actively engaging beneficiaries in the design, management and implementation of projects. The stress on actual control of decision-making and project resources at nearly all stages of a subproject cycle distinguishes CDD from the previous generation of CBD projects. In this continuum of community participation covered
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Community-driven development
CDD vs. CBD
by CBD, new-generation CDD projects are located at the extreme right (Tanaka, 2006). Since community-driven development has only recently diverged from the broad community-based development there are a few contrasts visible in the five characteristics of CDD programmes. In essence, all five properties of CDD projects exist together only in the newer generation of CDD implementations. Nevertheless, the first attribute of community focus would apply to all CDD projects and CBD projects. In contrast, the second characteristic of participatory planning and design and the fourth property of community involvement are often visible among all CDD projects but very rarely in CBD
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Community-driven development
CDD vs. CBD
projects. Moreover, community-based monitoring and evaluation which is the fifth aspect of CDD projects is only found in some of the newer projects. The fifth characteristic is what positions many of the newer CDD projects in the extreme right of the CDD cluster as diagrammatically demonstrated in Figure 1. As mentioned above, the third characteristic of community control of resources seems to be the key factor to conceptually distinguish between CDD and CBD projects. However, many of the early NGOs implementing CDD projects did not always interpret this factor rigorously (Tanaka, 2006). Thus, the distinction between CDD projects and CBD
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Community-driven development
CDD vs. CBD
projects with CDD components was not always clear; however, this would be expected since there was a gradual evolution of CDD out of CBD. To alleviate the earlier problems of over-reliance on central governments as the main service provider, CDD programs were launched by the World Bank to improve the accountability and services in key areas. However, NGOs quickly learned that well designed and implemented CDD programmes had ripple effects of promoting equity and inclusiveness, efficiency and good governance. By effectively targeting and including the vulnerable and excluded groups, as well as allowing communities to manage and control resources directly it
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Community-driven development
CDD vs. CBD
was evident that CDD programs could allow poverty reduction projects to scale up quickly. Efficiency is gained through demand responsive allocation of resources, reduced corruption and misuse of resources, lower costs and better cost recovery, better quality and maintenance, greater utilization of resources, and the community‘s willingness to pay for goods and services. Good governance is promoted by greater transparency, accountability in allocation and use of resources because the community participates in project decision-making processes. Some of the principles of CDD—such as participation, empowerment, accountability, and nondiscrimination—are also worthy ends in themselves (Asian Development Bank, 2008). It was as early as
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Community-driven development
CDD vs. CBD
1881 when T.H. Green who wrote about the maximum power for all members of human society alike to make the best of themselves (Zakaria, 1999). However, it was not until the 1970s with John Rawls’ book ―A Theory of Justice and in the 1990s with Amartya Sen‘s book ―Development as Freedom where the notions of substantive freedom and the multidimensional nature of poverty were made explicit to the multilateral development banks. This recognition of the multidimensional nature of poverty as well as the combined failures of both markets and governments and the socio-political complexity of ground level realities has made
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Community-driven development
CDD vs. CBD & Expansion of community-driven development
it clear that relying on traditional top-down, state-led, ―big development‖ strategies would not be effective to combat poverty. Moreover, this resurgence in participatory development and bottom-up approaches in the NGO and development sector has come in only the last two decades as explained above. Expansion of community-driven development Since the mid-1990s, community-driven development has emerged as one of the fastest-growing investments by NGOs, aid organizations and multilateral developments banks. This continued investment in CDD has been driven mostly by a demand from donor agencies and developing countries for large-scale, bottom-up and demand-driven, poverty reduction subprojects that can increase the institutional
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Community-driven development
Expansion of community-driven development
capacity of small communities for self-development. The success and scale of some CDD projects in the World Bank are especially notable. The World Bank supported approximately 190 lending projects amounting to $9.3 billion in 2000–2005 (Tanaka, 2006). Initiated by the International Development Association (IDA) at the World Bank, CDD projects have been instrumental in harnessing the energy and capacity of communities for poverty reduction. Since the start of this decade, IDA lending for CDD has averaged annually just over 50 operations, for an average total of US$1.3 billion per year (International Development Association, 2009). Even the Asian Development Bank (ADB) has
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Community-driven development
Expansion of community-driven development
funded 57 projects worth about $2.5 billion between 2001-2007 that included community-driven development approaches to enhance deliver of inputs and beneficiary participation. They constituted 14% of the total loans approved by the Asian Development Bank during this period. Over one-third of the projects were in the agriculture and natural resources sector, followed by a smaller proportion of water supply and sanitation, waste management, education and health projects. The projects were primarily in Southeast Asia, South Asia, and Central and West Asia, where the developing country governments were investing in rural development programs (Asian Development Bank, 2008). In the last few years
{"datasets_id": 1243, "wiki_id": "Q5154946", "sp": 12, "sc": 1788, "ep": 12, "ec": 2507}
1,243
Q5154946
12
1,788
12
2,507
Community-driven development
Expansion of community-driven development
the International Fund for Agricultural Development has been working with the Agence française de développement (AFD), the African Development Bank (AfDB), the European Union (EU), the Food and Agriculture Organization of the United Nations (FAO), the UN Capital Development Fund (UNCDF) and the World Bank to create a platform for learning and sharing knowledge on community-driven development (International Fund for Agricultural Development, 2010). Intensive forms of community participation have been attempted in projects of several donors for many years. Bilateral donors, such as the Department for International Development (DFID) of the United Kingdom and the Canadian International Development Agency (CIDA),
{"datasets_id": 1243, "wiki_id": "Q5154946", "sp": 12, "sc": 2507, "ep": 12, "ec": 3193}
1,243
Q5154946
12
2,507
12
3,193
Community-driven development
Expansion of community-driven development
have used CDD-type approaches for a long time as part of their sustainable livelihoods and integrated basic needs development assistance in developing countries. The Swedish International Development Agency (SIDA) and Danish International Development Agency have used CDD principles in the mandate of a rights-based approach to the development projects they fund (FAO, 2010). More than 80 countries have now implemented CDD projects. The breadth and activities funded by the CDD programs at the World Bank can be explained by providing a brief overview of a few of them. The Second National Fadama Development Project II (NFDP-II) targets the development of small scale
{"datasets_id": 1243, "wiki_id": "Q5154946", "sp": 12, "sc": 3193, "ep": 12, "ec": 3883}
1,243
Q5154946
12
3,193
12
3,883
Community-driven development
Expansion of community-driven development
irrigation, especially in the low-lying alluvial floodplains or "Fadama‖. NFDP-II increased the productivity, living standards and development capacity of the economically active rural communities while increasing the efficiency in delivering implementation services to an estimated four million rural beneficiary households and raising the real incomes of households by 45 percent (African Development Bank, 2003). The Social Fund for Development in Yemen provided support 7 million people of which 49 percent were female and generated 8,000 permanent jobs. It also increased the number of girls‘ schools from 502 to 554 and basic education enrollment rates from 63 percent to 68 percent.
{"datasets_id": 1243, "wiki_id": "Q5154946", "sp": 12, "sc": 3883, "ep": 12, "ec": 4588}
1,243
Q5154946
12
3,883
12
4,588
Community-driven development
Expansion of community-driven development
The program focuses on helping the poor to help themselves through providing income-generating activities and building community infrastructure rather than making cash transfers (El-Gammal, 2004). The Social Investment Fund Project V in Honduras benefited 2.5 million people with the implementation of 2,888 projects (1,446 rehabilitated schools, about 700 new schools, 163 new health centers, 347 small water/sanitation systems, and 461 latrines) resulting in all children in the targeted areas attending primary school. In addition the project communities were provided with better access to health care assistance and access to running water (Perez de Castillo, 1998). The Andhra Pradesh Rural Poverty
{"datasets_id": 1243, "wiki_id": "Q5154946", "sp": 12, "sc": 4588, "ep": 12, "ec": 5249}
1,243
Q5154946
12
4,588
12
5,249
Community-driven development
Expansion of community-driven development
Reduction Project (APRPRP) in India has help to organize 10.1 million rural poor women into community-based organizations that collectively save over US$770 million and leverage credit over $2.7 billion from commercial banks (World Bank, 2003). The Kecamatan Development Program (KDP) in Indonesia which is what the National Solidarity Program in Afghanistan is based on has benefitted 18 million people by providing better services which include more than 37,000 kilometers of local roads and 8,500 bridges, 9,200 clean water supply units, and 3,000 new or improved health posts. In addition, more than 1.3 million people obtained loans to start or complement
{"datasets_id": 1243, "wiki_id": "Q5154946", "sp": 12, "sc": 5249, "ep": 16, "ec": 223}
1,243
Q5154946
12
5,249
16
223
Community-driven development
Expansion of community-driven development & Effect of CDD programs on conflict
local businesses through microfinancing (Guggenheim, 2004). Lastly, the National Solidarity Programme (NSP) in Afghanistan will be the focus of this research. In this implementation elected village-level community development councils, which include women, use grants and local labor to rebuild bridges and roads, fix schools and install water pumps to benefit 13 million people across Afghanistan thereby building state credibility and strengthening local democracy. Effect of CDD programs on conflict Governments and international organizations persist to address large amounts of development aid to conflict affected areas throughout the world by community-driven development programs, some of it in order to abate conflict
{"datasets_id": 1243, "wiki_id": "Q5154946", "sp": 16, "sc": 223, "ep": 16, "ec": 944}
1,243
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16
223
16
944
Community-driven development
Effect of CDD programs on conflict
by decreasing popular support for insurgent activities. Despite that, the effect of development aid on civil conflict remains unclear. The Philippines’ Kapit-Bisig Laban sa Kahiripan - Comprehensive Integrated Delivery of Social Services (KALAHI-CIDSS) — a large-scale community-driven development program from 2003 through 2008 implemented by the Philippine government’s Department of Social Welfare and Development. The program intends to improve local infrastructure, governance, participation, and social cohesion. More than 4000 villages in 184 municipalities across 40 provinces had received aid through KALAHI-CIDSS. (Crost and Johnston , 2010) investigate the effect of a KALAHI-CIDSS development
{"datasets_id": 1243, "wiki_id": "Q5154946", "sp": 16, "sc": 944, "ep": 16, "ec": 1544}
1,243
Q5154946
16
944
16
1,544
Community-driven development
Effect of CDD programs on conflict
program in the Philippines, and conclude that the program actually intensify violence in the short term. There are at least two possible reasons through which aid could intensify conflict. The first is that an inflow of aid will increase the amount of resources, which in turn increases the incentive to fight. The second is that aid increases short-term conflict because it has the potential to weaken insurgents in the long-run, perhaps because it increases peaceful economic opportunities or popular support for the government. If insurgents expect a successful aid program to weaken their
{"datasets_id": 1243, "wiki_id": "Q5154946", "sp": 16, "sc": 1544, "ep": 16, "ec": 2135}
1,243
Q5154946
16
1,544
16
2,135
Community-driven development
Effect of CDD programs on conflict
position, they have an incentive to sabotage its implementation by violent means. The National Solidarity Program (NSP), which began in June 2003, is the largest development program in Afghanistan. The program is focused on infrastructure, such as drinking water facilities, irrigation canals and roads, and services, such as training and literacy courses. NSP is executed by the Ministry of Rural Rehabilitation and Development (MRRD) of the Government of Afghanistan, funded by the World Bank and a consortium of bilateral donors, and implemented by around25 NGOs.
{"datasets_id": 1243, "wiki_id": "Q5154946", "sp": 16, "sc": 2135, "ep": 16, "ec": 2664}
1,243
Q5154946
16
2,135
16
2,664
Community-driven development
Effect of CDD programs on conflict
By mid 2010NSP had already been implemented in over 29,000 villages across 361 of Afghanistan‘s 398 districts at a cost of nearly $1 billion. The results of NSP show that the program has a significant positive effect on the sense of economic wellbeing among the villagers and their support for the central and local governments. There is also evidence that NSP has positive effect on the perception of security situation by the villagers, but no evidence that this has led to a decrease in insurgent attacks there (Beath, 2011).
{"datasets_id": 1244, "wiki_id": "Q33077", "sp": 2, "sc": 0, "ep": 6, "ec": 52}
1,244
Q33077
2
0
6
52
Comorian language
Phonology
Comorian language Phonology The consonants and vowels in the Comorian languages:
{"datasets_id": 1245, "wiki_id": "Q5155993", "sp": 2, "sc": 0, "ep": 8, "ec": 139}
1,245
Q5155993
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0
8
139
Comparison of software saving Web pages for offline use
Video
Comparison of software saving Web pages for offline use A number of proprietary software products are available for saving Web pages for later use offline. They vary in terms of the techniques used for saving, what types of content can be saved, the format and compression of the saved files, provision for working with already saved content, and in other ways. Video To save video embedded on web sites (e.g. YouTube), there are video download extensions for Firefox (including Download Helper) and Chrome.
{"datasets_id": 1246, "wiki_id": "Q952931", "sp": 2, "sc": 0, "ep": 4, "ec": 642}
1,246
Q952931
2
0
4
642
Compressor station
Compressor station A compressor station is a facility which helps the transportation process of natural gas from one location to another. Natural gas, while being transported through a gas pipeline, needs to be constantly pressurized at intervals of 40 to 100 miles. Siting is dependent on terrain, and the number of gas wells in the vicinity. Frequent elevation changes and a greater number of gas wells will require more compressor stations. The gas in compressor stations is normally pressurized by special turbines, motors and engines. The compressor station, also called a pumping station, is the "engine" that powers an interstate natural
{"datasets_id": 1246, "wiki_id": "Q952931", "sp": 4, "sc": 642, "ep": 8, "ec": 165}
1,246
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4
642
8
165
Compressor station
Liquid Separators
gas pipeline. As the name implies, the compressor station compresses the natural gas (increasing its pressure) thereby providing energy to move the gas through the pipeline. Pipeline companies install compressor stations along a pipeline route. The size of the station and the number of compressors (pumps) varies, based on the diameter of the pipe and the volume of gas to be moved. Nevertheless, the basic components of a station are similar. Liquid Separators As the pipeline enters the compressor station the natural gas passes through scrubbers, strainers or filter separators. These are vessels designed to remove any free
{"datasets_id": 1246, "wiki_id": "Q952931", "sp": 8, "sc": 165, "ep": 16, "ec": 36}
1,246
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8
165
16
36
Compressor station
Liquid Separators & Prime Movers & Turbine / Centrifugal Compressor
liquids or dirt particles from the gas before it enters the compressors. Though the pipeline is carrying “dry gas,” some water and hydrocarbon liquids may condense out of the gas stream as the gas cools and moves through the pipeline. Any liquids that may be produced are collected and stored for sale or disposal. A piping system directs the gas from the separators to the gas compressor for compression. Prime Movers There are three commonly used types of engines that drive the compressors and are known as "prime movers": Turbine / Centrifugal Compressor This type of compression unit uses a
{"datasets_id": 1246, "wiki_id": "Q952931", "sp": 16, "sc": 36, "ep": 20, "ec": 335}
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36
20
335
Compressor station
Turbine / Centrifugal Compressor & Electric Motor/Centrifugal Compressor
natural gas-fired turbine to turn a centrifugal compressor. The centrifugal compressor is similar to a large fan inside a case, which pumps the gas as the fan turns. A small portion of natural gas from the pipeline is burned to power the turbine. Electric Motor/Centrifugal Compressor In this type of compressor unit, the centrifugal compressor is driven by a high voltage electric motor. An electrified compressor may still require an air permit, as regulations vary by state an applicability analysis should be conducted whenever a compressor station will be constructed. However, a highly reliable source of electric
{"datasets_id": 1246, "wiki_id": "Q952931", "sp": 20, "sc": 335, "ep": 24, "ec": 514}
1,246
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20
335
24
514
Compressor station
Electric Motor/Centrifugal Compressor & Reciprocating Engine/Reciprocating Compressor
power must be available and near the station. Reciprocating Engine/Reciprocating Compressor These large piston engines resemble automobile engines, only much larger. Commonly known as “recips,” these engines are fueled by natural gas from the pipeline. Reciprocating pistons, located in cylinder cases on the side of the unit, compress the natural gas. The compressor pistons and the power pistons are connected to a common crankshaft. The advantage of reciprocating compressors is that the volume of gas pushed through the pipeline can be adjusted incrementally to meet small changes in customer demand.
{"datasets_id": 1247, "wiki_id": "Q3589458", "sp": 2, "sc": 0, "ep": 8, "ec": 271}
1,247
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0
8
271
Computable general equilibrium
Comparative-static and dynamic CGE models
Computable general equilibrium Computable general equilibrium (CGE) models are a class of economic models that use actual economic data to estimate how an economy might react to changes in policy, technology or other external factors. CGE models are also referred to as AGE (applied general equilibrium) models. Comparative-static and dynamic CGE models Many CGE models are comparative-static: they model the reactions of the economy at only one point in time. For policy analysis, results from such a model are often interpreted as showing the reaction of the economy in some future period to one or a few external shocks or
{"datasets_id": 1247, "wiki_id": "Q3589458", "sp": 8, "sc": 271, "ep": 8, "ec": 955}
1,247
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8
271
8
955
Computable general equilibrium
Comparative-static and dynamic CGE models
policy changes. That is, the results show the difference (usually reported in percent change form) between two alternative future states (with and without the policy shock), where resources are held fixed overall (hence the term comparative static). The process of adjustment to the new equilibrium, in particular the reallocation of labor and capital across sectors, usually is not explicitly represented in such a model. In contrast, long-run models focus on adjustments to the underlying resource base when modeling policy changes. This can include dynamic adjustment to the labor supply, adjustments in installed and overall capital stocks, and even adjustment to overall
{"datasets_id": 1247, "wiki_id": "Q3589458", "sp": 8, "sc": 955, "ep": 8, "ec": 1642}
1,247
Q3589458
8
955
8
1,642
Computable general equilibrium
Comparative-static and dynamic CGE models
productivity and market structure. There are two broad approaches followed in the policy literature to such long-run adjustment. One involves what is called "comparative steady state" analysis. Under such an approach, long-run or steady-state closure rules are used, under either forward looking or recursive dynamic behavior, to solve for long-run adjustments. The alternative approach involves explicit modeling of dynamic adjustment paths. These models can seem more realistic, but are more challenging to construct and solve. They require for instance that future changes are predicted for all exogenous variables, not just those affected by a possible policy change. The
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1,247
Q3589458
8
1,642
8
2,319
Computable general equilibrium
Comparative-static and dynamic CGE models
dynamic elements may arise from partial adjustment processes or from stock/flow accumulation relations: between capital stocks and investment, and between foreign debt and trade deficits. However there is a potential consistency problem because the variables that change from one equilibrium solution to the next are not necessarily consistent with each other during the period of change. The modeling of the path of adjustment may involve forward looking expectations, where agents' expectations depend on the future state of the economy and it is necessary to solve for all periods simultaneously, leading to full multi-period dynamic CGE models. An alternative is recursive
{"datasets_id": 1247, "wiki_id": "Q3589458", "sp": 8, "sc": 2319, "ep": 12, "ec": 266}
1,247
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8
2,319
12
266
Computable general equilibrium
Comparative-static and dynamic CGE models & Techniques
dynamics. Recursive-dynamic CGE models are those that can be solved sequentially (one period at a time). They assume that behaviour depends only on current and past states of the economy. Recursive dynamic models where a single period is solved for, comparative steady-state analysis, is a special case of recursive dynamic modeling over what can be multiple periods. Techniques Early CGE models were often solved by a program custom-written for that particular model. Models were expensive to construct and sometimes appeared as a 'black box' to outsiders. Now, most CGE models are formulated and solved using one of the GAMS or GEMPACK
{"datasets_id": 1247, "wiki_id": "Q3589458", "sp": 12, "sc": 266, "ep": 12, "ec": 510}
1,247
Q3589458
12
266
12
510
Computable general equilibrium
Techniques
software systems. AMPL, Excel and MATLAB are also used. Use of such systems has lowered the cost of entry to CGE modelling; allowed model simulations to be independently replicated; and increased the transparency of the models.
{"datasets_id": 1248, "wiki_id": "Q369472", "sp": 2, "sc": 0, "ep": 4, "ec": 705}
1,248
Q369472
2
0
4
705
Computational chemistry
Computational chemistry Computational chemistry is a branch of chemistry that uses computer simulation to assist in solving chemical problems. It uses methods of theoretical chemistry, incorporated into efficient computer programs, to calculate the structures and properties of molecules and solids. It is necessary because, apart from relatively recent results concerning the hydrogen molecular ion (dihydrogen cation, see references therein for more details), the quantum many-body problem cannot be solved analytically, much less in closed form. While computational results normally complement the information obtained by chemical experiments, it can in some cases predict hitherto unobserved chemical phenomena. It is widely
{"datasets_id": 1248, "wiki_id": "Q369472", "sp": 4, "sc": 705, "ep": 4, "ec": 1405}
1,248
Q369472
4
705
4
1,405
Computational chemistry
used in the design of new drugs and materials. Examples of such properties are structure (i.e., the expected positions of the constituent atoms), absolute and relative (interaction) energies, electronic charge density distributions, dipoles and higher multipole moments, vibrational frequencies, reactivity, or other spectroscopic quantities, and cross sections for collision with other particles. The methods used cover both static and dynamic situations. In all cases, the computer time and other resources (such as memory and disk space) increase rapidly with the size of the system being studied. That system can be one molecule, a group of molecules, or a solid. Computational
{"datasets_id": 1248, "wiki_id": "Q369472", "sp": 4, "sc": 1405, "ep": 4, "ec": 2112}
1,248
Q369472
4
1,405
4
2,112
Computational chemistry
chemistry methods range from very approximate to highly accurate; the latter are usually feasible for small systems only. Ab initio methods are based entirely on quantum mechanics and basic physical constants. Other methods are called empirical or semi-empirical because they use additional empirical parameters. Both ab initio and semi-empirical approaches involve approximations. These range from simplified forms of the first-principles equations that are easier or faster to solve, to approximations limiting the size of the system (for example, periodic boundary conditions), to fundamental approximations to the underlying equations that are required to achieve any solution to them at all.
{"datasets_id": 1248, "wiki_id": "Q369472", "sp": 4, "sc": 2112, "ep": 4, "ec": 2814}
1,248
Q369472
4
2,112
4
2,814
Computational chemistry
For example, most ab initio calculations make the Born–Oppenheimer approximation, which greatly simplifies the underlying Schrödinger equation by assuming that the nuclei remain in place during the calculation. In principle, ab initio methods eventually converge to the exact solution of the underlying equations as the number of approximations is reduced. In practice, however, it is impossible to eliminate all approximations, and residual error inevitably remains. The goal of computational chemistry is to minimize this residual error while keeping the calculations tractable. In some cases, the details of electronic structure are less important than the long-time phase space behavior
{"datasets_id": 1248, "wiki_id": "Q369472", "sp": 4, "sc": 2814, "ep": 8, "ec": 163}
1,248
Q369472
4
2,814
8
163
Computational chemistry
History
of molecules. This is the case in conformational studies of proteins and protein-ligand binding thermodynamics. Classical approximations to the potential energy surface are used, as they are computationally less intensive than electronic calculations, to enable longer simulations of molecular dynamics. Furthermore, cheminformatics uses even more empirical (and computationally cheaper) methods like machine learning based on physicochemical properties. One typical problem in cheminformatics is to predict the binding affinity of drug molecules to a given target. History Building on the founding discoveries and theories in the history of quantum mechanics, the first theoretical calculations in chemistry were those of Walter Heitler
{"datasets_id": 1248, "wiki_id": "Q369472", "sp": 8, "sc": 163, "ep": 8, "ec": 845}
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8
163
8
845
Computational chemistry
History
and Fritz London in 1927. The books that were influential in the early development of computational quantum chemistry include Linus Pauling and E. Bright Wilson's 1935 Introduction to Quantum Mechanics – with Applications to Chemistry, Eyring, Walter and Kimball's 1944 Quantum Chemistry, Heitler's 1945 Elementary Wave Mechanics – with Applications to Quantum Chemistry, and later Coulson's 1952 textbook Valence, each of which served as primary references for chemists in the decades to follow. With the development of efficient computer technology in the 1940s, the solutions of elaborate wave equations for complex atomic systems began to be a realizable objective. In
{"datasets_id": 1248, "wiki_id": "Q369472", "sp": 8, "sc": 845, "ep": 8, "ec": 1479}
1,248
Q369472
8
845
8
1,479
Computational chemistry
History
the early 1950s, the first semi-empirical atomic orbital calculations were performed. Theoretical chemists became extensive users of the early digital computers. One major advance came with the 1951 paper in Reviews of Modern Physics by Clemens C. J. Roothaan in 1951, largely on the "LCAO MO" approach (Linear Combination of Atomic Orbitals Molecular Orbitals), for many years the second-most cited paper in that journal. A very detailed account of such use in the United Kingdom is given by Smith and Sutcliffe. The first ab initio Hartree–Fock method calculations on diatomic molecules were performed in 1956 at MIT, using a basis
{"datasets_id": 1248, "wiki_id": "Q369472", "sp": 8, "sc": 1479, "ep": 8, "ec": 2141}
1,248
Q369472
8
1,479
8
2,141
Computational chemistry
History
set of Slater orbitals. For diatomic molecules, a systematic study using a minimum basis set and the first calculation with a larger basis set were published by Ransil and Nesbet respectively in 1960. The first polyatomic calculations using Gaussian orbitals were performed in the late 1950s. The first configuration interaction calculations were performed in Cambridge on the EDSAC computer in the 1950s using Gaussian orbitals by Boys and coworkers. By 1971, when a bibliography of ab initio calculations was published, the largest molecules included were naphthalene and azulene. Abstracts of many earlier developments in ab initio theory have been published
{"datasets_id": 1248, "wiki_id": "Q369472", "sp": 8, "sc": 2141, "ep": 8, "ec": 2835}
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Q369472
8
2,141
8
2,835
Computational chemistry
History
by Schaefer. In 1964, Hückel method calculations (using a simple linear combination of atomic orbitals (LCAO) method to determine electron energies of molecular orbitals of π electrons in conjugated hydrocarbon systems) of molecules, ranging in complexity from butadiene and benzene to ovalene, were generated on computers at Berkeley and Oxford. These empirical methods were replaced in the 1960s by semi-empirical methods such as CNDO. In the early 1970s, efficient ab initio computer programs such as ATMOL, Gaussian, IBMOL, and POLYAYTOM, began to be used to speed ab initio calculations of molecular orbitals. Of these four programs, only Gaussian, now vastly expanded, is
{"datasets_id": 1248, "wiki_id": "Q369472", "sp": 8, "sc": 2835, "ep": 8, "ec": 3448}
1,248
Q369472
8
2,835
8
3,448
Computational chemistry
History
still in use, but many other programs are now in use. At the same time, the methods of molecular mechanics, such as MM2 force field, were developed, primarily by Norman Allinger. One of the first mentions of the term computational chemistry can be found in the 1970 book Computers and Their Role in the Physical Sciences by Sidney Fernbach and Abraham Haskell Taub, where they state "It seems, therefore, that 'computational chemistry' can finally be more and more of a reality." During the 1970s, widely different methods began to be seen as part of a new emerging discipline of computational chemistry.
{"datasets_id": 1248, "wiki_id": "Q369472", "sp": 8, "sc": 3448, "ep": 12, "ec": 133}
1,248
Q369472
8
3,448
12
133
Computational chemistry
History & Accuracy
The Journal of Computational Chemistry was first published in 1980. Computational chemistry has featured in several Nobel Prize awards, most notably in 1998 and 2013. Walter Kohn, "for his development of the density-functional theory", and John Pople, "for his development of computational methods in quantum chemistry", received the 1998 Nobel Prize in Chemistry. Martin Karplus, Michael Levitt and Arieh Warshel received the 2013 Nobel Prize in Chemistry for "the development of multiscale models for complex chemical systems". Accuracy The words exact and perfect do not apply here, as very few aspects of chemistry can be computed exactly. However, almost every aspect
{"datasets_id": 1248, "wiki_id": "Q369472", "sp": 12, "sc": 133, "ep": 12, "ec": 846}
1,248
Q369472
12
133
12
846
Computational chemistry
Accuracy
of chemistry can be described in a qualitative or approximate quantitative computational scheme. Molecules consist of nuclei and electrons, so the methods of quantum mechanics apply. Computational chemists often attempt to solve the non-relativistic Schrödinger equation, with relativistic corrections added, although some progress has been made in solving the fully relativistic Dirac equation. In principle, it is possible to solve the Schrödinger equation in either its time-dependent or time-independent form, as appropriate for the problem in hand; in practice, this is not possible except for very small systems. Therefore, a great number of approximate methods strive to achieve the best trade-off
{"datasets_id": 1248, "wiki_id": "Q369472", "sp": 12, "sc": 846, "ep": 12, "ec": 1553}
1,248
Q369472
12
846
12
1,553
Computational chemistry
Accuracy
between accuracy and computational cost. Accuracy can always be improved with greater computational cost. Significant errors can present themselves in ab initio models comprising many electrons, due to the computational cost of full relativistic-inclusive methods. This complicates the study of molecules interacting with high atomic mass unit atoms, such as transitional metals and their catalytic properties. Present algorithms in computational chemistry can routinely calculate the properties of small molecules that contain up to about 40 electrons with errors for energies less than a few kJ/mol. For geometries, bond lengths can be predicted within a few picometres and bond angles within 0.5
{"datasets_id": 1248, "wiki_id": "Q369472", "sp": 12, "sc": 1553, "ep": 16, "ec": 21}
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Q369472
12
1,553
16
21
Computational chemistry
Accuracy & Methods
degrees. The treatment of larger molecules that contain a few dozen atoms is computationally tractable by more approximate methods such as density functional theory (DFT). There is some dispute within the field whether or not the latter methods are sufficient to describe complex chemical reactions, such as those in biochemistry. Large molecules can be studied by semi-empirical approximate methods. Even larger molecules are treated by classical mechanics methods that use what are called molecular mechanics (MM). In QM-MM methods, small parts of large complexes are treated quantum mechanically (QM), and the remainder is treated approximately (MM). Methods One molecular formula
{"datasets_id": 1248, "wiki_id": "Q369472", "sp": 16, "sc": 21, "ep": 16, "ec": 606}
1,248
Q369472
16
21
16
606
Computational chemistry
Methods
can represent more than one molecular isomer: a set of isomers. Each isomer is a local minimum on the energy surface (called the potential energy surface) created from the total energy (i.e., the electronic energy, plus the repulsion energy between the nuclei) as a function of the coordinates of all the nuclei. A stationary point is a geometry such that the derivative of the energy with respect to all displacements of the nuclei is zero. A local (energy) minimum is a stationary point where all such displacements lead to an increase in energy. The local minimum that is lowest is
{"datasets_id": 1248, "wiki_id": "Q369472", "sp": 16, "sc": 606, "ep": 16, "ec": 1312}
1,248
Q369472
16
606
16
1,312
Computational chemistry
Methods
called the global minimum and corresponds to the most stable isomer. If there is one particular coordinate change that leads to a decrease in the total energy in both directions, the stationary point is a transition structure and the coordinate is the reaction coordinate. This process of determining stationary points is called geometry optimization. The determination of molecular structure by geometry optimization became routine only after efficient methods for calculating the first derivatives of the energy with respect to all atomic coordinates became available. Evaluation of the related second derivatives allows the prediction of vibrational frequencies if harmonic motion is estimated.
{"datasets_id": 1248, "wiki_id": "Q369472", "sp": 16, "sc": 1312, "ep": 16, "ec": 1924}
1,248
Q369472
16
1,312
16
1,924
Computational chemistry
Methods
More importantly, it allows for the characterization of stationary points. The frequencies are related to the eigenvalues of the Hessian matrix, which contains second derivatives. If the eigenvalues are all positive, then the frequencies are all real and the stationary point is a local minimum. If one eigenvalue is negative (i.e., an imaginary frequency), then the stationary point is a transition structure. If more than one eigenvalue is negative, then the stationary point is a more complex one, and is usually of little interest. When one of these is found, it is necessary to move the search away from it
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Computational chemistry
Methods
if the experimenter is looking solely for local minima and transition structures. The total energy is determined by approximate solutions of the time-dependent Schrödinger equation, usually with no relativistic terms included, and by making use of the Born–Oppenheimer approximation, which allows for the separation of electronic and nuclear motions, thereby simplifying the Schrödinger equation. This leads to the evaluation of the total energy as a sum of the electronic energy at fixed nuclei positions and the repulsion energy of the nuclei. A notable exception are certain approaches called direct quantum chemistry, which treat electrons and nuclei on a common footing. Density
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Computational chemistry
Methods & Ab initio methods
functional methods and semi-empirical methods are variants on the major theme. For very large systems, the relative total energies can be compared using molecular mechanics. The ways of determining the total energy to predict molecular structures are: Ab initio methods The programs used in computational chemistry are based on many different quantum-chemical methods that solve the molecular Schrödinger equation associated with the molecular Hamiltonian. Methods that do not include any empirical or semi-empirical parameters in their equations – being derived directly from theoretical principles, with no inclusion of experimental data – are called ab initio methods. This does not imply that the
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Computational chemistry
Ab initio methods
solution is an exact one; they are all approximate quantum mechanical calculations. It means that a particular approximation is rigorously defined on first principles (quantum theory) and then solved within an error margin that is qualitatively known beforehand. If numerical iterative methods must be used, the aim is to iterate until full machine accuracy is obtained (the best that is possible with a finite word length on the computer, and within the mathematical and/or physical approximations made). The simplest type of ab initio electronic structure calculation is the Hartree–Fock method (HF), an extension of molecular orbital theory, in which the correlated
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Computational chemistry
Ab initio methods
electron-electron repulsion is not specifically taken into account; only its average effect is included in the calculation. As the basis set size is increased, the energy and wave function tend towards a limit called the Hartree–Fock limit. Many types of calculations (termed post-Hartree–Fock methods) begin with a Hartree–Fock calculation and subsequently correct for electron-electron repulsion, referred to also as electronic correlation. As these methods are pushed to the limit, they approach the exact solution of the non-relativistic Schrödinger equation. To obtain exact agreement with experiment, it is necessary to include relativistic and spin orbit terms, both of which are far
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Computational chemistry
Ab initio methods
more important for heavy atoms. In all of these approaches, along with choice of method, it is necessary to choose a basis set. This is a set of functions, usually centered on the different atoms in the molecule, which are used to expand the molecular orbitals with the linear combination of atomic orbitals (LCAO) molecular orbital method ansatz. Ab initio methods need to define a level of theory (the method) and a basis set. The Hartree–Fock wave function is a single configuration or determinant. In some cases, particularly for bond breaking processes, this is inadequate, and several configurations must be used.
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Computational chemistry
Ab initio methods
Here, the coefficients of the configurations, and of the basis functions, are optimized together. The total molecular energy can be evaluated as a function of the molecular geometry; in other words, the potential energy surface. Such a surface can be used for reaction dynamics. The stationary points of the surface lead to predictions of different isomers and the transition structures for conversion between isomers, but these can be determined without a full knowledge of the complete surface. A particularly important objective, called computational thermochemistry, is to calculate thermochemical quantities such as the enthalpy of formation to chemical accuracy. Chemical accuracy is the
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Computational chemistry
Ab initio methods & Density functional methods
accuracy required to make realistic chemical predictions and is generally considered to be 1 kcal/mol or 4 kJ/mol. To reach that accuracy in an economic way it is necessary to use a series of post-Hartree–Fock methods and combine the results. These methods are called quantum chemistry composite methods. Density functional methods Density functional theory (DFT) methods are often considered to be ab initio methods for determining the molecular electronic structure, even though many of the most common functionals use parameters derived from empirical data, or from more complex calculations. In DFT, the total energy is expressed in terms of the total one-electron
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Computational chemistry
Density functional methods & Semi-empirical methods
density rather than the wave function. In this type of calculation, there is an approximate Hamiltonian and an approximate expression for the total electron density. DFT methods can be very accurate for little computational cost. Some methods combine the density functional exchange functional with the Hartree–Fock exchange term and are termed hybrid functional methods. Semi-empirical methods Semi-empirical quantum chemistry methods are based on the Hartree–Fock method formalism, but make many approximations and obtain some parameters from empirical data. They were very important in computational chemistry from the 60s to the 90s, especially for treating large molecules where the full Hartree–Fock
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Computational chemistry
Semi-empirical methods & Molecular mechanics
method without the approximations were too costly. The use of empirical parameters appears to allow some inclusion of correlation effects into the methods. Primitive semi-empirical methods were designed even before, where the two-electron part of the Hamiltonian is not explicitly included. For π-electron systems, this was the Hückel method proposed by Erich Hückel, and for all valence electron systems, the extended Hückel method proposed by Roald Hoffmann. Sometimes, Hückel methods are referred to as "completely emprirical" because they do not derive from a Hamiltonian.Yet, the term "empirical methods", or "empirical force fields" is usually used to describe Molecular Mechanics. Molecular mechanics
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Computational chemistry
Molecular mechanics
In many cases, large molecular systems can be modeled successfully while avoiding quantum mechanical calculations entirely. Molecular mechanics simulations, for example, use one classical expression for the energy of a compound, for instance the harmonic oscillator. All constants appearing in the equations must be obtained beforehand from experimental data or ab initio calculations. The database of compounds used for parameterization, i.e., the resulting set of parameters and functions is called the force field, is crucial to the success of molecular mechanics calculations. A force field parameterized against a specific class of molecules, for instance proteins, would be expected to only have
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Computational chemistry
Molecular mechanics & Methods for solids
any relevance when describing other molecules of the same class. These methods can be applied to proteins and other large biological molecules, and allow studies of the approach and interaction (docking) of potential drug molecules. Methods for solids Computational chemical methods can be applied to solid state physics problems. The electronic structure of a crystal is in general described by a band structure, which defines the energies of electron orbitals for each point in the Brillouin zone. Ab initio and semi-empirical calculations yield orbital energies; therefore, they can be applied to band structure calculations. Since it is time-consuming to calculate the
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Q369472
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420
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Computational chemistry
Methods for solids & Molecular dynamics & Quantum mechanics/Molecular mechanics (QM/MM)
energy for a molecule, it is even more time-consuming to calculate them for the entire list of points in the Brillouin zone. Molecular dynamics Molecular dynamics (MD) use either quantum mechanics, molecular mechanics or a mixture of both to calculate forces which are then used to solve Newton's laws of motion to examine the time-dependent behaviour of systems. The result of a molecular dynamics simulation is a trajectory that describes how the position and velocity of particles varies with time. Quantum mechanics/Molecular mechanics (QM/MM) QM/MM is a hybrid method that attempts to combine the accuracy of quantum mechanics with the
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Computational chemistry
Quantum mechanics/Molecular mechanics (QM/MM) & Interpreting molecular wave functions
speed of molecular mechanics. It is useful for simulating very large molecules such as enzymes. Interpreting molecular wave functions The atoms in molecules (QTAIM) model of Richard Bader was developed to effectively link the quantum mechanical model of a molecule, as an electronic wavefunction, to chemically useful concepts such as atoms in molecules, functional groups, bonding, the theory of Lewis pairs, and the valence bond model. Bader has demonstrated that these empirically useful chemistry concepts can be related to the topology of the observable charge density distribution, whether measured or calculated from a quantum mechanical wavefunction. QTAIM analysis of molecular
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Computational chemistry
Interpreting molecular wave functions
wavefunctions is implemented, for example, in the AIMAll software package.
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Background
Con Calma Background "Con Calma" was written by Daddy Yankee, Katy Perry, and Juan "Gaby Music" Rivera, and was produced by American production duo Play-N-Skillz and co-produced by David "Scott Summers" Macias. Previously, Daddy Yankee and Play-N-Skillz worked together on the singles "Not a Crime" (2016) and "Azukita" (2018), while Gaby Music co-wrote Daddy Yankee's Latin Grammy Award-winner song "Dura" (2018) and served as recording engineer on 2017's Latin Grammy Award for Record of the Year "Despacito" by Luis Fonsi featuring Daddy Yankee. Play-N-Skillz came out with the concept of "Con Calma" during early 2017 and recorded a drum loop, while
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Con Calma
Background
songwriter Máximo Mundial helped them with the chorus idea. A month later in Los Angeles, the duo showed the project to Daddy Yankee, who was about to record another track but decided to change his plans. The original version of "Con Calma" only featured vocals by Daddy Yankee, who told the producers that the song "needed [a] surprise factor" because they "had to pay tribute to the main author". Play-N-Skillz got in touch with a Miami-based man called Juan Vibras, who was working with independent label Rich Music and connected them with Snow. He recorded a verse, which was sent
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Con Calma
Background
to Daddy Yankee, who "loved it". Snow and his manager Paul Farberman had been working on devising a comeback since 2017 in order to reintroduce him on music charts through a publishing deal with Warner Chappell Music and a series of "Informer" remixes scheduled to be released by Radikal Records in New Jersey and Roton Music in Romania. Daddy Yankee told Apple Music that Snow's 1992 single "Informer" was "one of [his] favorite songs growing up, and to do this the right way [he] needed the guy to be on the record." He added that "you got to give honor to
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Con Calma
Background
a classic in order to make a new version of it", and after showing it to Snow, he replied that he would "100% be on the song". Daddy Yankee described the situation as "a Canadian and a Puerto Rican making Jamaican music, two pioneers, two people pushing the cultures". He wanted to "transmit the best energy and freshness in both dance and music, unifying the music of [his] teen years with today's modern sound." Daddy Yankee told Billboard that he chose to release "Dura" in 2018 instead of "Con Calma" and added that the former "opened up a new musical horizon
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Con Calma
Background
and gave [him] the opportunity to stamp [his] signature." "Con Calma" went through several production and arrangement changes until October 2018, when Daddy Yankee called Play-N-Skillz to tell them that the song was going to be released "in the next couple of months". Snow's "Informer" spent seven consecutive weeks at number one on the Billboard Hot 100 and was the 10th best-performing song of 1993 on that chart. The track was inducted to the 1999 edition of The Guinness Book of Records as "the biggest-selling reggae single in US history". Snow stated that he did not think that "Informer" would be
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Con Calma
Background & Composition
a hit and added that "it is amazing that the song is listened to again after 25 years." He added that "a lot of people made covers before, but Daddy Yankee took it and made something different with his flow." He had a positive reaction to the reworked lyrics, in which there is no mention of themes in "Informer" such as Snow's imprisonment nor his problems with authorities of Toronto, Canada. Daddy Yankee and Snow did not meet for the song's recording nor the filming of the music video. Composition "Con Calma" is an uptempo reggaeton and dancehall song with
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Con Calma
Composition
a length of three minutes and twelve seconds. It has been referred to as a remake, reimagination or cover version of Snow's 1992 reggae single "Informer". Madeleine Marr of Miami Herald's Miami.com described the lyrics as about "a woman who works her feminine charms," while Camile Roldán Soto of El Nuevo Día stated that the track is about "a girl who dances very well." Jessica Roiz of Billboard described the song as Daddy Yankee and Snow "praising a girl's dance moves". Celia Fernandez of O, The Oprah Magazine wrote that the single is about "a guy calmly watching a girl