Quantum-chemical study of the structure and stability of ethynyl pseudohalides: HC≡C-NCO and its isomers

Physical Chemistry Chemical Physics

Volumn 5, Issue 2, 2003, Pages 259-267

  Pasinszki, Tibor ^a   Havasi, Balázs ^a  

^a BUDAPEST UNIVERSITY OF TECHNOLOGY AND ECONOMICS   (Hungary)

Author keywords

[No Author keywords available]

Indexed keywords

CYANIC ACID DERIVATIVE; HALIDE; ISOCYANIC ACID DERIVATIVE;

AB INITIO CALCULATION; ARTICLE; CHEMICAL BOND; CHEMICAL STRUCTURE; CYCLOADDITION; DENSITY; DIMERIZATION; DISSOCIATION; ENERGY; GEOMETRY; ISOMER; ISOMERISM; KINETICS; MOLECULAR STABILITY; POLYMERIZATION; QUANTUM CHEMISTRY; ROOM TEMPERATURE; THEORETICAL MODEL;

EID: 0037239741     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b208277m     Document Type: Article

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