Study of the diacetamide-water dimer with ab initio and density functional theory methods

Chemical Physics

Volumn 299, Issue 1, 2004, Pages 57-66

  Fu, Aiping ^a   Li, Hongliang ^b   Zhou, Zhengyu ^a   Feng, Dacheng ^c  

^a QUFU NORMAL UNIVERSITY   (China)

^b MAX PLANCK INSTITUT FÜR KOHLENFORSCHUNG   (Germany)

^c SHANDONG UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ACETAMIDE; AMIDE; CARBON; CARBONYL DERIVATIVE; DIMER; HYDROGEN; OXYGEN; PROTON; SOLVENT; WATER;

AB INITIO CALCULATION; ARTICLE; CALCULATION; CHEMICAL BOND; CHEMICAL INTERACTION; CHEMICAL REACTION; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ENERGY; GAS; GEOMETRY; HYDROGEN BOND; ISOLATION PROCEDURE; ISOMER; MOLECULE; THEORY;

EID: 1442323954     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2003.12.011     Document Type: Article

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