Energetic and topological analyses of the oxidation reaction between Mon (n = 1, 2) and N2O

Journal of Computational Chemistry

Volumn 26, Issue 12, 2005, Pages 1284-1293

  Michelini, Maria Del Carmen ^a   Russo, Nino ^a   Alikhani, Mohammad Esmaǐl ^b   Silvi, Bernard ^c  

^a UNIVERSITY OF CALABRIA   (Italy)

^b SORBONNE UNIVERSITÉ   (France)

^c LABORATOIRE DE CHIMIE THÉORIQUE   (France)

Author keywords

AIM and ELF topological analyses; Bonding description; Electronic structure; Mono and di molybdenum oxidation; Nitrous oxide; Reaction pathways; Reduction

Indexed keywords

CHEMICAL BONDS; DIMERS; ELECTRONIC STRUCTURE; MOLYBDENUM; NITROGEN OXIDES; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; REDUCTION; TOPOLOGY;

AIM AND ELF TOPOLOGICAL ANALYSES; BONDING DESCRIPTION; MONO- AND DI-MOLYBDENUM OXIDATION; NITROUS OXIDE; REACTION PATHWAYS;

OXIDATION;

EID: 24344467480     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.20269     Document Type: Article

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