Literature DB >> 16999478

On the semiclassical initial value calculation of thermal rate coefficients for the N+N2 reaction.

N Faginas Lago1, A Laganá, R Gargano, P R P Barreto.   

Abstract

In this paper we compare semiclassical initial value representation, conventional transition state theory with Wigner and Eckart tunneling correction, quantum reduced dimensionality, and quasiclassical thermal rate coefficients for N+N(2) exchange reaction.

Year:  2006        PMID: 16999478     DOI: 10.1063/1.2345363

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  1 in total

1.  Full Dimensional Potential Energy Function and Calculation of State-Specific Properties of the CO+N2 Inelastic Processes Within an Open Molecular Science Cloud Perspective.

Authors:  Andrea Lombardi; Fernando Pirani; Massimiliano Bartolomei; Cecilia Coletti; Antonio Laganà
Journal:  Front Chem       Date:  2019-05-22       Impact factor: 5.221

  1 in total

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