A reliable and efficient first principles-based method for predicting pKa values. III. Adding explicit water molecules: Can the theoretical slope be reproduced and pKa values predicted more accurately? | D2R Server publishing the DBLP Bibliography Database, hosted at L3S Research Center

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dc:creator	<https://dblp.l3s.de/d2r/resource/authors/Shuming_Zhang>
foaf:homepage	<http://dx.doi.org/doi.org%2F10.1002%2Fjcc.22886>
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dc:identifier	DBLP journals/jcc/Zhang12 (xsd:string)
dc:identifier	DOI doi.org%2F10.1002%2Fjcc.22886 (xsd:string)
dcterms:issued	2012 (xsd:gYear)
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rdfs:label	A reliable and efficient first principles-based method for predicting pKa values. III. Adding explicit water molecules: Can the theoretical slope be reproduced and pKa values predicted more accurately? (xsd:string)
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rdfs:seeAlso	<https://doi.org/10.1002/jcc.22886>
dc:title	A reliable and efficient first principles-based method for predicting pKa values. III. Adding explicit water molecules: Can the theoretical slope be reproduced and pKa values predicted more accurately? (xsd:string)
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