Assessment of a combined QM/MM approach for the study of large nitroxide systems in vacuo and in condensed phases

Journal of the American Chemical Society

Volumn 120, Issue 28, 1998, Pages 7069-7078

  Barone, Vincenzo ^a   Bencini, Alessandro ^b   Cossi, Maurizio ^a   Di Matteo, Andrea ^a   Mattesini, Maurizio ^b   Totti, Federico ^b  

^a UNIVERSITY OF NAPLES FEDERICO II   (Italy)

^b UNIVERSITY OF FLORENCE   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CYCLOHEXANE DERIVATIVE; NITROXIDE DERIVATIVE; RADICAL; SOLVENT;

ARTICLE; CHEMICAL STRUCTURE; GAS; MAGNETISM; MODEL; SOLID; SOLVATION; TECHNIQUE;

EID: 0032558110     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja981079z     Document Type: Article

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