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DELTA50: A Highly Accurate Database of Experimental 1H and 13C NMR Chemical Shifts Applied to DFT Benchmarking.

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Title: DELTA50: A Highly Accurate Database of Experimental 1H and 13C NMR Chemical Shifts Applied to DFT Benchmarking.
Authors: Cohen RD; Analytical Research and Development, Merck & Co., Inc., Rahway, NJ 07065, USA.; Department of Chemistry and Biochemistry, Seton Hall University, South Orange, NJ 07079, USA., Wood JS; Analytical Research and Development, Merck & Co., Inc., Rahway, NJ 07065, USA.; Department of Chemistry and Biochemistry, University of North Carolina Wilmington, Wilmington, NC 28409, USA., Lam YH; Department of Computational and Structural Chemistry, Merck & Co., Inc., Rahway, NJ 07065, USA., Buevich AV; Analytical Research and Development, Merck & Co., Inc., Rahway, NJ 07065, USA., Sherer EC; Analytical Research and Development, Merck & Co., Inc., Rahway, NJ 07065, USA., Reibarkh M; Analytical Research and Development, Merck & Co., Inc., Rahway, NJ 07065, USA., Williamson RT; Department of Chemistry and Biochemistry, University of North Carolina Wilmington, Wilmington, NC 28409, USA., Martin GE; Department of Chemistry and Biochemistry, Seton Hall University, South Orange, NJ 07079, USA.
Source: Molecules (Basel, Switzerland) [Molecules] 2023 Mar 07; Vol. 28 (6). Date of Electronic Publication: 2023 Mar 07.
Publication Type: Journal Article
Journal Info: Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049 (Electronic) Linking ISSN: 14203049 NLM ISO Abbreviation: Molecules Subsets: MEDLINE; PubMed not MEDLINE
Database: MEDLINE Ultimate
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  Data: DELTA50: A Highly Accurate Database of Experimental <superscript>1</superscript>H and <superscript>13</superscript>C NMR Chemical Shifts Applied to DFT Benchmarking.
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  Data: <searchLink fieldCode="AU" term="%22Cohen+RD%22">Cohen RD</searchLink>; Analytical Research and Development, Merck & Co., Inc., Rahway, NJ 07065, USA.; Department of Chemistry and Biochemistry, Seton Hall University, South Orange, NJ 07079, USA.<br /><searchLink fieldCode="AU" term="%22Wood+JS%22">Wood JS</searchLink>; Analytical Research and Development, Merck & Co., Inc., Rahway, NJ 07065, USA.; Department of Chemistry and Biochemistry, University of North Carolina Wilmington, Wilmington, NC 28409, USA.<br /><searchLink fieldCode="AU" term="%22Lam+YH%22">Lam YH</searchLink>; Department of Computational and Structural Chemistry, Merck & Co., Inc., Rahway, NJ 07065, USA.<br /><searchLink fieldCode="AU" term="%22Buevich+AV%22">Buevich AV</searchLink>; Analytical Research and Development, Merck & Co., Inc., Rahway, NJ 07065, USA.<br /><searchLink fieldCode="AU" term="%22Sherer+EC%22">Sherer EC</searchLink>; Analytical Research and Development, Merck & Co., Inc., Rahway, NJ 07065, USA.<br /><searchLink fieldCode="AU" term="%22Reibarkh+M%22">Reibarkh M</searchLink>; Analytical Research and Development, Merck & Co., Inc., Rahway, NJ 07065, USA.<br /><searchLink fieldCode="AU" term="%22Williamson+RT%22">Williamson RT</searchLink>; Department of Chemistry and Biochemistry, University of North Carolina Wilmington, Wilmington, NC 28409, USA.<br /><searchLink fieldCode="AU" term="%22Martin+GE%22">Martin GE</searchLink>; Department of Chemistry and Biochemistry, Seton Hall University, South Orange, NJ 07079, USA.
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  Data: <searchLink fieldCode="JN" term="%22100964009%22">Molecules (Basel, Switzerland)</searchLink> [Molecules] 2023 Mar 07; Vol. 28 (6). <i>Date of Electronic Publication: </i>2023 Mar 07.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22MDPI%22">MDPI </searchLink><i>Country of Publication: </i>Switzerland <i>NLM ID: </i>100964009 <i>Publication Model: </i>Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1420-3049 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2214203049%22">14203049 </searchLink><i>NLM ISO Abbreviation: </i>Molecules <i>Subsets: </i>MEDLINE; PubMed not MEDLINE
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      – TitleFull: DELTA50: A Highly Accurate Database of Experimental 1H and 13C NMR Chemical Shifts Applied to DFT Benchmarking.
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              Text: 2023 Mar 07
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