The computational study on the structural and force field changes, caused by the conversion of dicyanamide into the azanion

Journal of Molecular Structure

Volumn 752, Issue 1-3, 2005, Pages 14-19

  Georgieva, Miglena K ^a   Binev, Ivan G ^a  

^a INSTITUTE OF ORGANIC CHEMISTRY   (Bulgaria)

Author keywords

Ab initio; Anion; DFT; Dicyanamide; Force field; IR; Structure

Indexed keywords

COMPUTATIONAL METHODS; INFRARED RADIATION; NEGATIVE IONS; PROBABILITY DENSITY FUNCTION; X RAY DIFFRACTION ANALYSIS;

DICYANAMIDE; FORCE FIELD;

MOLECULAR STRUCTURE;

EID: 25144517909     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2005.05.014     Document Type: Article

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