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QUBEKit: Automating the Derivation of Force Field Parameters from Quantum Mechanics.

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Title: QUBEKit: Automating the Derivation of Force Field Parameters from Quantum Mechanics.
Authors: Horton JT; School of Natural and Environmental Sciences , Newcastle University , Newcastle upon Tyne NE1 7RU , United Kingdom., Allen AEA; TCM Group , Cavendish Laboratory , 19 JJ Thomson Avenue , Cambridge CB3 0HE , United Kingdom., Dodda LS; Department of Chemistry , Yale University , New Haven , Connecticut 06520-8107 , United States., Cole DJ; School of Natural and Environmental Sciences , Newcastle University , Newcastle upon Tyne NE1 7RU , United Kingdom.
Source: Journal of chemical information and modeling [J Chem Inf Model] 2019 Apr 22; Vol. 59 (4), pp. 1366-1381. Date of Electronic Publication: 2019 Feb 22.
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-960X (Electronic) Linking ISSN: 15499596 NLM ISO Abbreviation: J Chem Inf Model Subsets: MEDLINE
Database: MEDLINE Ultimate
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DbLabel: MEDLINE Ultimate
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PubType: Academic Journal
PubTypeId: academicJournal
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  Data: QUBEKit: Automating the Derivation of Force Field Parameters from Quantum Mechanics.
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  Data: <searchLink fieldCode="AU" term="%22Horton+JT%22">Horton JT</searchLink>; School of Natural and Environmental Sciences , Newcastle University , Newcastle upon Tyne NE1 7RU , United Kingdom.<br /><searchLink fieldCode="AU" term="%22Allen+AEA%22">Allen AEA</searchLink>; TCM Group , Cavendish Laboratory , 19 JJ Thomson Avenue , Cambridge CB3 0HE , United Kingdom.<br /><searchLink fieldCode="AU" term="%22Dodda+LS%22">Dodda LS</searchLink>; Department of Chemistry , Yale University , New Haven , Connecticut 06520-8107 , United States.<br /><searchLink fieldCode="AU" term="%22Cole+DJ%22">Cole DJ</searchLink>; School of Natural and Environmental Sciences , Newcastle University , Newcastle upon Tyne NE1 7RU , United Kingdom.
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  Data: <searchLink fieldCode="JN" term="%22101230060%22">Journal of chemical information and modeling</searchLink> [J Chem Inf Model] 2019 Apr 22; Vol. 59 (4), pp. 1366-1381. <i>Date of Electronic Publication: </i>2019 Feb 22.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22American+Chemical+Society%22">American Chemical Society </searchLink><i>Country of Publication: </i>United States <i>NLM ID: </i>101230060 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1549-960X (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2215499596%22">15499596 </searchLink><i>NLM ISO Abbreviation: </i>J Chem Inf Model <i>Subsets: </i>MEDLINE
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      – Type: doi
        Value: 10.1021/acs.jcim.8b00767
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      – Code: eng
        Text: English
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      Pagination:
        StartPage: 1366
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      – TitleFull: QUBEKit: Automating the Derivation of Force Field Parameters from Quantum Mechanics.
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            NameFull: Horton JT
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            NameFull: Allen AEA
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            NameFull: Dodda LS
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            NameFull: Cole DJ
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            – D: 22
              M: 04
              Text: 2019 Apr 22
              Type: published
              Y: 2019
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              Value: 4
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            – TitleFull: Journal of chemical information and modeling
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