Electrostatic potential at atomic sites as a reactivity descriptor for hydrogen bonding. Complexes of monosubstituted acetylenes and ammonia

Journal of Physical Chemistry A

Volumn 106, Issue 48, 2002, Pages 11801-11805

  Dimitrova, Valia ^a   Ilieva, Sonia ^a   Galabov, Boris ^a  

^a UNIVERSITY OF SOFIA   (Bulgaria)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC SITES; DENSITY FUNCTIONAL THEORY; ELECTRIC CHARGE PROPERTIES; MOLECULAR ELECTROSTATIC POTENTIAL; PROTON DONORS;

ACETYLENE; AMMONIA; BONDING; COMPUTER SIMULATION; ELECTRIC PROPERTIES; ELECTROSTATICS; INFRARED SPECTROSCOPY; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; PROBABILITY DENSITY FUNCTION;

HYDROGEN BONDS;

EID: 0037028199     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp026203m     Document Type: Article

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