Accurate Proton Affinity and Gas-Phase Basicity Values for Molecules Important in Biocatalysis

Benchmark quantum calculations of proton affinities and gas-phase basicities of molecules relevant to biochemical processes, particularly acid/base catalysis, are presented and compared for a variety of multilevel and density functional quantum models. Included are nucleic acid bases in both keto an...

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Veröffentlicht in:	The journal of physical chemistry. B 2010-11, Vol.114 (43), p.13911-13921
Hauptverfasser:	Moser, Adam, Range, Kevin, York, Darrin M
Format:	Artikel
Sprache:	eng
Schlagworte:	Amino Acids - chemistry Amino Acids - metabolism B: Biophysical Chemistry Biocatalysis Gases - chemistry Phosphates - chemistry Phosphates - metabolism Protons Quantum Theory Ribose - chemistry Ribose - metabolism RNA - chemistry RNA - metabolism Thermodynamics
Online-Zugang:	Volltext
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