True Stabilization Energies for the Optimal Planar Hydrogen-Bonded and Stacked Structures of Guanine⋯Cytosine, Adenine⋯Thymine, and Their 9- and 1-Methyl Derivatives: Complete Basis Set Calculations at the MP2 and CCSD(T) Levels and Comparison with Experiment

Journal of the American Chemical Society

Volumn 125, Issue 50, 2003, Pages 15608-15613

  Jurečka, Petr ^a   Hobza, Pavel ^a  

^a J HEYROVSKÝ INSTITUTE OF PHYSICAL CHEMISTRY   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

BONDING ENERGY; INTERACTION ENERGY; STABILIZATION ENERGY;

EXTRAPOLATION; MOLECULAR STRUCTURE; OPTIMIZATION; PROTEINS; STABILITY;

HYDROGEN BONDS;

1 METHYLCYTOSINE; 1 METHYLTHYMINE; 9 METHYLADENINE; 9 METHYLGUANINE; ADENINE; CYTOSINE; CYTOSINE DERIVATIVE; GUANINE; METHYL GROUP; THYMINE; THYMINE DERIVATIVE; UNCLASSIFIED DRUG;

ACCURACY; ARTICLE; CALCULATION; CHEMICAL STRUCTURE; COMPARATIVE STUDY; DNA BINDING; ENERGY; HYDROGEN BOND; MOLECULAR INTERACTION; MOLECULAR STABILITY; RELIABILITY; STRUCTURE ANALYSIS;

ADENINE; BASE PAIRING; CYTOSINE; GUANINE; HYDROGEN BONDING; MODELS, CHEMICAL; MODELS, MOLECULAR; THERMODYNAMICS; THYMINE;

EID: 0348110653     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja036611j     Document Type: Article

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