Results 211 to 220 of about 403,627 (266)

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
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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
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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
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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
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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
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Potential energy curves for ScH

Journal of Physics B: Atomic and Molecular Physics, 1975
Using the generalized valence bond model (GVB), potential energy curves for the 1,3 Sigma , 1,3 Pi , 1,3 Delta states of ScH are presented. All states are bonding with at most a weak barrier and the 3 Delta is the lowest energy state. The bonding is primarily to the 4s2 state of Sc. These results are contrasted to like studies of H on Fe, Ni, Mn and Cu.
A B Kunz, M P Guse, R J Blint
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The potential energy curves of BH+

Chemical Physics Letters, 1981
Abstract Potential energy curves for low-lying states of BH + dissociating to B + ( 1 S) + H, B + ( 3 P) + H and B( 2 P) + H + have been determined by ab initio calculations. Agreement between experimental and calculated values of the spectroscopic constants for the X 2 Σ + and A 2 Π states supports the theoretical predictions concerning the bound ...
Martyn F. Guest, David M. Hirst
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Potential energy curves and dissociation energy of the NO+ molecule

Physica B+C, 1978
Abstract The experimental potential energy curves for different electronic state of the PO molecule have been constructed using the method of Lakshman and Rao as well as the Rydberg-Klein-Rees method as modified by Vanderslice et al. The dissociation energy for the ground state of the PO molecule has been established at 6.073 eV by the curve fitting ...
T.V. Ramakrishna Rao, R. Ramakrishna Reddy   +1 more
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Potential energy curves and dissociation energy of SiCl

Journal of Quantitative Spectroscopy and Radiative Transfer, 1981
Abstract The true potential energy curves have been constructed for the ground and excited electronic states of SiCl by the method of Lakshman and Rao. The dissociation energy of the ground state has been estimated by fitting the Hulburt-Hirschfelder function to the true potential energy curves. The dissociation energy thus obtained is 33,500 cm -1 (
M. Venkataramanaiah, S.V.J. Lakshman
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Spectroscopic properties and potential energy curves of GaH

Journal of Molecular Spectroscopy, 1989
Abstract Fifteen electronic states of GaCl are investigated using relativistic ab initio complete active space MCSCF (CASSCF) followed by large-scale multi-reference configuration interaction calculations which included up to 1000000 configurations.
Gyoung-bum Kim, K. Balasubramanian
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