Benchmark interaction energies for biologically relevant noncovalent complexes containing divalent sulfur

Journal of Physical Chemistry A

Volumn 116, Issue 3, 2012, Pages 1086-1092

  Mintz, Benjamin J ^a   Parks, Jerry M ^a  

^a OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AB INITIO METHOD; AB INITIO QUANTUM CHEMICAL METHODS; CCSD; CLASSICAL FORCE FIELDS; COMPLETE BASIS SET LIMIT; COUPLED-CLUSTER THEORY; DISSOCIATION CURVES; DOUBLE SUBSTITUTION; ELECTRON CORRELATION EFFECT; HIGH-ACCURACY; INTERACTION ENERGIES; NON-COVALENT COMPLEXES; NON-COVALENT INTERACTION; SEMI-EMPIRICAL;

CLUSTER COMPUTING; DENSITY FUNCTIONAL THEORY; ELECTRIC CIRCUIT BREAKERS; HYDROGEN; QUANTUM CHEMISTRY; SULFUR;

COMPLEXATION;

CYSTEINE; METHIONINE; SULFUR; WATER;

ARTICLE; CHEMISTRY; HYDROGEN BOND; QUANTUM THEORY;

CYSTEINE; HYDROGEN BONDING; METHIONINE; QUANTUM THEORY; SULFUR; WATER;

EID: 84856404085     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp209536e     Document Type: Article

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