Quantum chemical and molecular dynamics study on the hydration of cyanide and thiocyanate anions

Journal of Molecular Liquids

Volumn 88, Issue 2-3, 2000, Pages 129-150

  Sansone, Roland ^a   Ebner, Christoph ^a   Probst, Michael ^a  

^a UNIVERSITY OF INNSBRUCK   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; COMPUTATIONAL METHODS; COMPUTER SIMULATION; HYDRATION; HYDROGEN BONDS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; QUANTUM THEORY;

COMPUTATIONAL CHEMISTRY; THIOCYANATE;

CYANIDES;

EID: 0034321263     PISSN: 01677322     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0167-7322(00)00149-5     Document Type: Article

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