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Ground State Potential Energy Curve and Dissociation Energy of MgH
The Journal of Physical Chemistry A, 2007New high-resolution visible emission spectra of the MgH molecule have been recorded with high signal-to-noise ratios using a Fourier transform spectrometer. Many bands of the A 2Pi-->X 2Sigma+ and B' 2Sigma+-->X 2Sigma+ electronic transitions of 24MgH were analyzed; the new data span the v' = 0-3 levels of the A 2Pi and B'2Sigma+ excited states and the
Alireza, Shayesteh +3 more
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The Potential Energy Curve of Mercury Hydride
The Journal of Chemical Physics, 1952A potential energy curve for the mercury hydride molecule is constructed which takes into account the fact that the molecule can change from a structure bonded by exchange forces below about 2.65A, to a quasi-molecule held together by London dispersion forces at larger distances.
George Glockler, Helene Ven Horst
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The Journal of Chemical Physics, 1971
A valence-bond method is used to determine a set of relations between the potential energies of those states of N2+ from which dissociation to ground state N and ground state N+ takes place. The potential curves of the sextet and the quartet states are calculated at intermediate internuclear separation distances (2–3.5 Å) from these relations and the ...
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A valence-bond method is used to determine a set of relations between the potential energies of those states of N2+ from which dissociation to ground state N and ground state N+ takes place. The potential curves of the sextet and the quartet states are calculated at intermediate internuclear separation distances (2–3.5 Å) from these relations and the ...
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Calculated Potential Energy Curves of OH
Canadian Journal of Physics, 1973A configuration-interaction calculation of the electronic energies of the OH radical has been performed, using from 34 to 46 configurations for the doublet states; and from 11 to 25 configurations for the quartet states. The results are presented for the six lowest states of 2Σ+, 2Σ−, 2Π, 2Δ; 4Σ+, 4Σ−, 4Π, and 4Δ symmetries. The calculations have been
Ian Easson, M. H. L. Pryce
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Potential energy curves for the HNO molecule
Chemical Physics Letters, 1969Abstract Potential curves for the HNO molecule calculated by the unrestricted Hartree-Fock method are given. Comparisons are made with experimental spectroscopic and kinetics results, and possible mechanisms explaining the observed features are presented and discussed.
A.W. Salotto, L. Burnelle
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Potential-Energy Curves for CO and CO+
The Journal of Chemical Physics, 1965Potential-energy curves for the X 1Σ+, A 1Π, I 1Σ−, a 3Π, a′ 3Σ+, d 3Δi, and e 3Σ− electronic states of CO and the X 2Σ+, A 2Πi, and B 2Σ+ electronic states of CO+ have been calculated using a modification of the Rydberg—Klein—Rees method. The curves for the a 3Π, d 3Δi, and A 2Πi states, which are intermediate between Hund's Cases (a) and (b ...
Paul H. Krupenie, Stanley Weissman
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Predissociation and the Crossing of Molecular Potential Energy Curves
The Journal of Chemical Physics, 1933The calculation of the width and shape of a line which is broadened because of predissociation has been extended so as to include perturbations of intermediate size. By ``perturbations of intermediate size'' we mean perturbations which are not so great that lines (of given rotational quantum number) belonging to two adjacent vibrational levels are ...
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Potential energy curve of N2 revisited
Collection of Czechoslovak Chemical Communications, 2011Recently generated ground state potential energy curves (PECs) for the nitrogen molecule, as obtained with the reduced multireference (RMR) coupled-cluster (CC) method with singles and doubles (RMR-CCSD), and its version corrected for the secondary triples RMR-CCSD(T), using cc-pVXZ basis sets with X = D, T, and Q, as well as the extrapolated complete ...
Vladimír Špirko +2 more
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Potential Energy Curves for Lithium Hydride
The Journal of Chemical Physics, 1960Potential energy curves for the X 1Σ+, A 1Σ+, and B 1π states of LiH have been calculated by the Rydberg-Klein-Rees method. The results are in agreement with curves previously obtained by Crawford and Jorgensen and by Rosenbaum using different methods.
Robert J. Fallon +2 more
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On the potential energy curves of LaO molecule
Pramana, 1977Turning points for several electronic states of LaO molecule are calculated using the Rapid method by Morse function, and compared with those obtained by RKR method. The electronegativity potential function and RKR potential functions are compared for the ground state of the molecule and an estimate of dissociation energy of LaO molecule in the ground ...
S H Behere, P L Sardesai
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