Structure and dynamics of the silacyclobutane radical cation, studied by ab initio and density functional theory and electron spin resonance spectroscopy

Journal of Chemical Physics

Volumn 107, Issue 2, 1997, Pages 297-306

  Fängström, Torbjörn ^a   Lunell, Sten ^a   Engels, Bernd ^b   Eriksson, Leif A ^c   Shiotani, Masaru ^d   Komaguchi, Kenji ^d  

^a UPPSALA UNIVERSITY   (Sweden)

^b UNIVERSITY OF BONN   (Germany)

^c STOCKHOLM UNIVERSITY   (Sweden)

^d HIROSHIMA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; ELECTRONIC STRUCTURE; FREE RADICALS; GEOMETRY; MATHEMATICAL MODELS; PERTURBATION TECHNIQUES; REACTION KINETICS; SURFACES;

DENSITY FUNCTIONAL THEORY; HYPERFINE COUPLING CONSTANTS; ONE DIMENSIONAL MODEL; POTENTIAL ENERGY SURFACE; SILACYCLOBUTANE RADICAL CATION; TEMPERATURE DEPENDENCE;

ELECTRON SPIN RESONANCE SPECTROSCOPY;

EID: 0031559365     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.474441     Document Type: Article

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