@Article{LagoLagaBarr:2006:SeInVa,
author = "Lago, N. Faginas and Lagan{\'a}, A. and Barreto,
Patr{\'{\i}}cia Regina Pereira",
affiliation = "{University of Perugia} and {Universidade de Brasilia} and
{Instituto Nacional de Pesquisas Espaciais (INPE)}",
title = "On the semiclassical initial value calculation of thermal rate
coefficients for the N+N-2 reaction",
journal = "Journal of Chemical Physics",
year = "2006",
volume = "125",
number = "11",
pages = "114311 (6pp)",
month = "Sep.",
keywords = "potential-energy surface, rate constants, nitrogen-atoms,
ab-initio, exchange-reaction, cross-sections, gas-phase, molecule,
abstraction, dynamics.",
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.",
doi = "10.1063/1.2345363",
url = "http://dx.doi.org/10.1063/1.2345363",
issn = "0021-9606",
language = "en",
targetfile = "1.2345363.pdf",
url = "http://dx.doi.org/10.1063/1.2345363",
urlaccessdate = "01 maio 2024"
}