Results 241 to 250 of about 15,010,208 (306)

Potential energy curves for NO+

The Journal of Chemical Physics, 1979
In recent years, high-resolution photoelectron spectroscopy and ab initio calculations have considerably revised and enlarged the understanding of the electronic structure of the NO+ ion. Based on these results, new potential energy curves for the electronic states of NO+ below 24 eV have been constructed and are given here.
D. L. Albritton, A. L. Schmeltekopf, R. N. Zare   +2 more
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Spectroscopic constants and potential energy curves of GeH+

Journal of Molecular Spectroscopy, 1990
Abstract Complete active space multiconfiguration self-consistent field (CAS-MCSFC) followed by full second-roder CI (SOCI) and relativistic configuration interaction (RCI) including spin-orbit coupling calculations are carried out on 14 λ-s and 10 ω-ω states of HfH. The spectroscopic constants (re, Te, ωe, μe, De) of these states are computed.
K Balasubramanian, Kalyan K Das
openaire   +1 more source

Potential energy curves and bond dissociation energy of YI

Journal of Molecular Structure: THEOCHEM, 1982
Abstract The bond dissociation energy of YI has been estimated by both a potential curve-fitting method and a method based on the nearly linear relationship between bond dissociation energy and electronegativity difference in a series A-X, where X is a halide atom.
R.R. Reddy, T.V.R. Rao
openaire   +1 more source

Potential energy curves for Li2

Chemical Physics Letters, 1977
Abstract A model potential method is used to calculate the potential curves of a large number of states of the lithium molecule and comparisons are made with other theoretical and experimental data. Agreement is generally satisfactory. Several bound states are predicted that have not been identified experimental including a 3 Σ − g state that ...
D.K. Watson, C.J. Cerjan, S. Guberman, A. Dalgarno   +3 more
openaire   +1 more source

The potential energy curves of ArC+

The Journal of Chemical Physics, 1979
Potential energy curves for different states of the molecule ArC+ have been determined by experimental and theoretical methods. Elastic scattering cross sections obtained from the scattering of C+(2P) and C+(4P) on Ar were used to determine the bound ground state X 2Π with the use of an inversion method, and to discuss qualitatively higher excited ...
I. H. Hillier, M. F. Guest, A. Ding, J. Karlau, J. Weise   +4 more
openaire   +1 more source

Potential Energy Curves for C2

The Journal of Chemical Physics, 1962
Potential energy curves for the a 1Σg+, X 3IIu, 3Σg—, b 1IIu, A 3IIg, c 1IIg, B 3IIg, d 1Σu+, and e 1Σg+ states of C2 have been calculated by the Rydberg—Klein—Rees method. These curves have been compared with some of the recent quantum calculations of Clementi and Pitzer on this same system.
Shirley M. Read, Joseph T. Vanderslice
openaire   +1 more source

Potential Energy Curves for OH

The Journal of Chemical Physics, 1961
Potential energy curves for four of the bound states of OH have been calculated by the Rydberg-Klein-Rees method. Various mechanisms to explain the anomalously high population of the v′=2 and 3 levels of the A 2Σ+ state are discussed.
Robert J. Fallon, Irwin Tobias, Joseph T. Vanderslice   +2 more
openaire   +1 more source