Theoretical studies of cooperativity effects in the ternary complexes of nitrous acid with ammonia and water

Journal of Molecular Structure

Volumn 738, Issue 1-3, 2005, Pages 193-203

  Olbert Majkut, Adriana ^a   Mierzwicki, Krzysztof ^a   Mielke, Zofia ^a  

^a UNIVERSITY OF WROC AW   (Poland)

Author keywords

Ab initio; Ammonia; Cooperativity; DFT; Hydrogen bonding; Nitrous acid; Water

Indexed keywords

AMMONIA; HYDROGEN BONDS; INORGANIC ACIDS; ISOMERS; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; STABILIZATION; TERNARY SYSTEMS; WATER;

COOPERATIVITY EFFECTS; INTERACTION ENERGY; NITROUS ACID; TERNARY COMPLEXES;

COMPLEXATION;

AMMONIA; HYDROGEN; HYDROXYL GROUP; NITROGEN; NITROUS ACID; WATER;

ARTICLE; ATOM; CALCULATION; CHEMICAL BOND; CHEMICAL STRUCTURE; CIS ISOMER; COMPLEX FORMATION; ENERGY; ENERGY TRANSFER; HYDROGEN BOND; MOLECULAR INTERACTION; MOLECULE; SPECTRUM; STRUCTURE ANALYSIS; THEORETICAL STUDY; TRANS ISOMER; VIBRATION;

EID: 14644446014     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2004.12.019     Document Type: Article

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