Theoretical study of the nuclear degrees of freedom in the isotropic and anisotropic hyperfine coupling constants of the C2H5 radical: A Feynman path integral-density functional approach

Molecular Physics

Volumn 103, Issue 1, 2005, Pages 105-127

  Schulte, Joachim ^a   Böhm, Michael C ^b   Ramírez, Rafael ^c   López Ciudad, Telesforo ^c  

^a BRUKER BIOSPIN GMBH   (Germany)

^b DARMSTADT UNIVERSITY OF TECHNOLOGY   (Germany)

^c INSTITUTO DE CIENCIA DE MATERIALES DE MADRID   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ELECTRON SPIN RESONANCE SPECTROSCOPY; FREE RADICALS; HAMILTONIANS; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION;

NUCLEAR DEGREE OF FREEDOM; POTENTIAL ENERGY SURFACE (PES); THERMAL EQUILIBRIUM;

DEGREES OF FREEDOM (MECHANICS);

EID: 27844518827     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970412331303369     Document Type: Article

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