Can I read Global potential energy surfaces for the CO2 and CS2 molecules on EtoBox?

Global potential energy surfaces for the CO2 and CS2 molecules by José Zúñiga; Adolfo Bastida; Mercedes Alacid; Alberto Requena is a Physics and Astronomy article available to read on EtoBox.

What is Global potential energy surfaces for the CO2 and CS2 molecules about?

Global potential energy surfaces for the ground electronic states of the CO and CS molecules are determined. We use 2 2 Ž Ž . the many-body single-value surfaces previously constructed by Murrell and Guo J. Chem. Soc. Faraday Trans. 2 1987 83, . 683 and refine their parameters by the non-linear least-squares method in order to reproduce the observed vibrational frequencies of each molecule. The fits are made by computing variationally the vibrational frequencies using sets of optimal generalized internal coordinates. The quality of the potentials is checked by computing vibrational frequencies of isotopic species and highly excited vibrational energies nor included in the fits.

Who reads Global potential energy surfaces for the CO2 and CS2 molecules?

Author

José Zúñiga; Adolfo Bastida; Mercedes Alacid; Alberto Requena

Publisher

Elsevier Science; Elsevier ; Elsevier BV (ISSN 0009-2614)

Published

1999

Language

EN

Field

Physics and Astronomy (Physical Sciences)