DNA base trimers: Empirical and quantum chemical ab initio calculations versus experiment in vacuo

Chemistry - A European Journal

Volumn 13, Issue 7, 2007, Pages 2067-2077

  Kabeláč, Martin ^a   Sherer, Edward C ^b   Cramer, Christopher J ^b   Hobza, Pavel ^a  

^a INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY   (Czech Republic)

^b University of Minnesota   (United States)

Author keywords

Ab initio calculations; DNA structures; Nucleic acids; Potential energy surface

Indexed keywords

DNA; ELECTRONIC STRUCTURE; HYDROGEN BONDS; MOLECULAR DYNAMICS; PERTURBATION TECHNIQUES; POTENTIAL ENERGY;

AB INITIO CALCULATIONS; DNA STRUCTURES; FORCE FIELDS; POTENTIAL ENERGY SURFACE;

MOLECULAR STRUCTURE;

DNA;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPARATIVE STUDY; CONFORMATION; HYDROGEN BOND; METHODOLOGY; PHYSICAL CHEMISTRY;

CHEMISTRY, PHYSICAL; DNA; HYDROGEN BONDING; MODELS, CHEMICAL; NUCLEIC ACID CONFORMATION;

EID: 34250662943     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.200601007     Document Type: Article

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