An ab initio study of diazirine: Equilibrium structure and molecular properties

Journal of Molecular Structure

Volumn 695-696, Issue , 2004, Pages 203-210

  Puzzarini, Cristina ^a   Gambi, Alberto ^b   Cazzoli, Gabriele ^a  

^a UNIVERSITY OF BOLOGNA   (Italy)

^b UNIVERSITY OF UDINE   (Italy)

Author keywords

Ab initio theory; Diazirine; Dipole moment; Equilibrium geometry; Nuclear quadrupole coupling constants

Indexed keywords

DIAZIRINE; NITROGEN DERIVATIVE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; CLUSTER ANALYSIS; CORRELATION ANALYSIS; EQUILIBRIUM CONSTANT; EVALUATION; GEOMETRY; MOLECULAR DYNAMICS; THEORETICAL STUDY;

EID: 2542461444     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2003.11.030     Document Type: Article

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