Artículos de revistas
Theoretical investigation on electron scattering by benzene in the intermediate-energy range
Registro en:
Chemical Physics. Elsevier Science Bv, v. 393, n. 1, n. 19, n. 24, 2012.
0301-0104
WOS:000299013700003
10.1016/j.chemphys.2011.11.014
Autor
de Souza, GLC
dos Santos, AS
Lucchese, RR
Machado, LE
Brescansin, LM
Manini, HV
Iga, I
Lee, MT
Institución
Resumen
Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP) We present a theoretical investigation on electron scattering by benzene (C6H6) in the intermediate-energy range. Calculated elastic differential, integral, and momentum-transfer as well as total (elastic + inelastic) and total absorption cross sections are reported for impact energies ranging from 20 to 500 eV. A complex optical potential is used to represent the electron-molecule interaction dynamics. A theoretical method based on the single-center-expansion close-coupling framework and corrected by the Pade approximant [F. A. Gianturco, R. R. Lucchese, N. Sanna, J. Chem. Phys. 102 (1995) 5743] is used to solve the scattering equations. The comparison of our calculated results with the experimental and theoretical data available in the literature is encouraging. (C) 2011 Elsevier B. V. All rights reserved. 393 1 19 24 Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP) Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)