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Influence of Solvent Representation on Nuclear Shielding Calculations of Protonation States of Small Biological Molecules.

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Bibliographic Details
Title: Influence of Solvent Representation on Nuclear Shielding Calculations of Protonation States of Small Biological Molecules.
Authors: Roggatz CC, Lorch M, Benoit DM
Source: Journal of chemical theory and computation [J Chem Theory Comput] 2018 May 08; Vol. 14 (5), pp. 2684-2695. Date of Electronic Publication: 2018 Apr 02.
Publication Type: Journal Article
Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101232704 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-9626 (Electronic) Linking ISSN: 15499618 NLM ISO Abbreviation: J Chem Theory Comput Subsets: MEDLINE
Database: MEDLINE Ultimate
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DbLabel: MEDLINE Ultimate
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PubType: Academic Journal
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PreciseRelevancyScore: 0
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  Data: Influence of Solvent Representation on Nuclear Shielding Calculations of Protonation States of Small Biological Molecules.
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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>101232704 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1549-9626 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2215499618%22">15499618 </searchLink><i>NLM ISO Abbreviation: </i>J Chem Theory Comput <i>Subsets: </i>MEDLINE
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RecordInfo BibRecord:
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    Identifiers:
      – Type: doi
        Value: 10.1021/acs.jctc.7b01020
    Languages:
      – Code: eng
        Text: English
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      Pagination:
        StartPage: 2684
    Titles:
      – TitleFull: Influence of Solvent Representation on Nuclear Shielding Calculations of Protonation States of Small Biological Molecules.
        Type: main
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          Name:
            NameFull: Roggatz CC
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          Name:
            NameFull: Lorch M
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            NameFull: Benoit DM
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            – D: 08
              M: 05
              Text: 2018 May 08
              Type: published
              Y: 2018
          Identifiers:
            – Type: issn-electronic
              Value: 1549-9626
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              Value: 14
            – Type: issue
              Value: 5
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            – TitleFull: Journal of chemical theory and computation
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