Intramolecular hydrogen bonds: Ab initio Car-Parrinello simulations of arylamide torsions

Chemical Physics Letters

Volumn 380, Issue 1-2, 2003, Pages 150-157

  Doerksen, Robert J ^a   Chen, Bin ^a,b   Klein, Michael L ^a  

^a UNIVERSITY OF PENNSYLVANIA   (United States)

^b LOUISIANA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

2 METHYLTHIOACETANILIDE; ACETANILIDE DERIVATIVE; AROMATIC AMIDE; BENZENE DERIVATIVE; HYDROGEN; SULFUR DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL BOND; GAS; HYDROGEN BOND; MOLECULAR DYNAMICS; ROOM TEMPERATURE; SIMULATION;

EID: 0141545023     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2003.08.112     Document Type: Article

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