Hyperfine coupling constants of dimethyl nitroxide in aqueous solution: Car-Parrinello molecular dynamics and discrete-continuum approaches

Chemical Physics Letters

Volumn 395, Issue 1-3, 2004, Pages 120-126

  Pavone, Michele ^a   Benzi, Caterina ^a   De Angelis, Filippo ^b   Barone, Vincenzo ^a  

^a UNIVERSITY OF NAPLES FEDERICO II   (Italy)

^b UNIVERSITY OF PERUGIA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

DIMETHYL NITROXIDE; NITROXIDE DERIVATIVE; UNCLASSIFIED DRUG;

AQUEOUS SOLUTION; ARTICLE; CAR PARRINELLO METHOD; CHEMICAL MODEL; CROSS COUPLING REACTION; ELECTRON SPIN RESONANCE; HIGH FREQUENCY OSCILLATION; METHODOLOGY; MOLECULAR DYNAMICS; SURFACE PROPERTY;

EID: 84962439476     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2004.07.054     Document Type: Article

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