A study of the impact of long range interactions on the reactivity of N + N2 using the Grid Empowered Molecular Simulator GEMS

International Journal of Web and Grid Services

Volumn 6, Issue 2, 2010, Pages 196-212

  Rampino, Sergio ^a   Pirani, Fernando ^a   Garcia, Ernesto ^b   Laganà, Antonio ^a  

^a UNIVERSITY OF PERUGIA   (Italy)

^b UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

Author keywords

Ccientific workflows; Chemistry on grid; Nitrogen exchange reaction; Quantum dynamics and kinetics; Reactive scattering

Indexed keywords

POTENTIAL ENERGY; QUANTUM CHEMISTRY; QUANTUM THEORY; REACTION KINETICS; VAN DER WAALS FORCES;

EXCHANGE REACTION; LONG RANGE INTERACTIONS; MOLECULAR SIMULATORS; QUANTUM DYNAMICS; REACTIVE SCATTERING; THERMAL RATE COEFFICIENTS; VAN DER WAALS INTERACTIONS; WORK-FLOWS;

CALCULATIONS;

EID: 77954442368     PISSN: 17411106     EISSN: 17411114     Source Type: Journal    
DOI: 10.1504/IJWGS.2010.033792     Document Type: Article

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