Feynman path integral - Ab initio study of the isotropic hyperfine coupling constants of the muonium substituted ethyl radical CH2MuCH 2

Chemical Physics Letters

Volumn 402, Issue 4-6, 2005, Pages 346-351

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

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

^b BRUKER BIOSPIN GMBH   (Germany)

^c DARMSTADT UNIVERSITY OF TECHNOLOGY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

DYNAMICS; HAMILTONIANS; MONTE CARLO METHODS; PARAMETER ESTIMATION; PROBABILITY DENSITY FUNCTION; THERMAL EFFECTS;

COUPLING CONSTANTS; HYPERFINE COUPLINGS (HFS); RADICALS; ROTATIONAL DYNAMICS;

ISOMERS;

ETHANE;

AB INITIO CALCULATION; ARTICLE; DENSITY FUNCTIONAL THEORY; ISOMER; MONTE CARLO METHOD; ROTATION; SUBSTITUTION REACTION;

EID: 12344259848     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2004.12.053     Document Type: Article

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