Double-proton transfer in adenine-thymine and guanine-cytosine base pairs. A post-Hartree-Fock ab initio study

Journal of the American Chemical Society

Volumn 126, Issue 32, 2004, Pages 10119-10129

  Gorb, Leonid ^a   Podolyan, Yevgeniy ^a   Dziekonski, Pawel ^b   Sokalski, W Andrzej ^b   Leszczynski, Jerzy ^a  

^a JACKSON STATE UNIVERSITY   (United States)

^b WROCLAW UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL GEOMETRY; DNA; ENVIRONMENTAL IMPACT; GIBBS FREE ENERGY; HYDROGEN BONDS; MOLECULAR VIBRATIONS; POSITIVE IONS;

GAS PHASE; PROTON TRANSFER; ROOM TEMPERATURE;

PROTONS;

ADENINE; CYTOSINE; DNA BASE; GUANINE; METAL ION; NITROGEN; SODIUM; THYMINE; WATER;

AB INITIO CALCULATION; ARTICLE; BASE PAIRING; CHEMICAL REACTION; COMPLEX FORMATION; DNA SYNTHESIS; ENVIRONMENTAL FACTOR; GEOMETRY; HYBRIDIZATION; HYDROGEN BOND; MOLECULAR DYNAMICS; PROTEIN CONFORMATION; PROTON TRANSPORT; ROOM TEMPERATURE; VIBRATION;

ADENINE; BASE PAIRING; CYTOSINE; DNA; GUANINE; HYDROGEN BONDING; KINETICS; MODELS, MOLECULAR; PROTONS; SURFACE PROPERTIES; THERMODYNAMICS; THYMINE;

EID: 4043070524     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja049155n     Document Type: Article

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