A high-level ab initio study of the N2 + N2 reaction channel

Journal of Computational Chemistry

Volumn 34, Issue 31, 2013, Pages 2668-2676

  Pacifici, Leonardo ^a   Verdicchio, Marco ^b   Lago, Noelia Faginas ^a   Lombardi, Andrea ^a   Costantini, Alessandro ^c  

^a UNIVERSITY OF PERUGIA   (Italy)

^b UNIVERSITÉ DE LORRAINE   (France)

^c INFN SEZIONE DI PERUGIA   (Italy)

Author keywords

ab initio methods; dynamics; electronic structure calculation; fitting; potential energy surface

Indexed keywords

AB INITIO METHOD; DYNAMICAL CALCULATIONS; ELECTRONIC STRUCTURE CALCULATIONS; FITTING; GLOBAL POTENTIAL ENERGY SURFACES; HIGH PERFORMANCE COMPUTING; HIGH-THROUGHPUT COMPUTING; PERTURBATIVE TRIPLE EXCITATIONS;

DYNAMICS; ELECTRONIC STRUCTURE; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY;

CALCULATIONS;

EID: 84886582859     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.23415     Document Type: Article

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