Ab InitioDetermination of the Roto-Torsional Energy Levels oftrans-1,3-Butadiene

M.L Senent

doi:10.1006/jmsp.1998.7638

Ab InitioDetermination of the Roto-Torsional Energy Levels oftrans-1,3-Butadiene

Journal of Molecular Spectroscopy ◽

10.1006/jmsp.1998.7638 ◽

1998 ◽

Vol 191 (2) ◽

pp. 265-275 ◽

Cited By ~ 37

Author(s):

M.L Senent

Keyword(s):

Energy Levels ◽

Torsional Energy

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The torsional energy levels of ethylene: A re-evaluation

Chemical Physics Letters ◽

10.1016/s0009-2614(89)87449-4 ◽

1989 ◽

Vol 159 (1) ◽

pp. 35-36 ◽

Cited By ~ 25

Author(s):

R. Wallace

Keyword(s):

Energy Levels ◽

Torsional Energy

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Torsional energy levels of nitric acid in reduced and full dimensionality with ElVibRot and Tnum

Physical Chemistry Chemical Physics ◽

10.1039/c001944e ◽

2010 ◽

Vol 12 (29) ◽

pp. 8405 ◽

Cited By ~ 28

Author(s):

David Lauvergnat ◽

André Nauts

Keyword(s):

Nitric Acid ◽

Energy Levels ◽

Torsional Energy

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Torsional energy levels of CH3OH+/CH3OD+/CD3OD+ studied by zero-kinetic energy photoelectron spectroscopy and theoretical calculations

The Journal of Chemical Physics ◽

10.1063/1.4896986 ◽

2014 ◽

Vol 141 (14) ◽

pp. 144306 ◽

Cited By ~ 5

Author(s):

Zuyang Dai ◽

Shuming Gao ◽

Jia Wang ◽

Yuxiang Mo

Keyword(s):

Kinetic Energy ◽

Photoelectron Spectroscopy ◽

Theoretical Calculations ◽

Energy Levels ◽

Torsional Energy ◽

Zero Kinetic Energy

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Vibrational levels connected with reaction coordinate in conformer interconversion processes: application of the phase integral method to torsional energy levels

Journal of Molecular Structure ◽

10.1016/0022-2860(90)80403-7 ◽

1990 ◽

Vol 221 ◽

pp. 195-208 ◽

Cited By ~ 2

Author(s):

T. Raaska ◽

H. Kunttu ◽

M. Räsänen ◽

J. Luppi ◽

P. Pajunen

Keyword(s):

Integral Method ◽

Energy Levels ◽

Reaction Coordinate ◽

Torsional Energy ◽

Vibrational Levels ◽

Phase Integral

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The torsional energy levels of ethylene: Interpretation in terms of two internal modes

Chemical Physics ◽

10.1016/0301-0104(90)87059-k ◽

1990 ◽

Vol 141 (2-3) ◽

pp. 241-247 ◽

Cited By ~ 3

Author(s):

R. Wallace

Keyword(s):

Energy Levels ◽

Torsional Energy

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Torsional energy levels and wave functions

Journal of Computational Chemistry ◽

10.1002/jcc.540130712 ◽

1992 ◽

Vol 13 (7) ◽

pp. 874-882 ◽

Cited By ~ 11

Author(s):

Alice Chung-Phillips

Keyword(s):

Energy Levels ◽

Wave Functions ◽

Torsional Energy

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Ab initio determination of the roto-torsional energy levels of hydrogen peroxide

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/s1386-1425(99)00267-x ◽

2000 ◽

Vol 56 (8) ◽

pp. 1457-1468 ◽

Cited By ~ 9

Author(s):

M.L. Senent ◽

S. Fernández-Herrera ◽

Y.G. Smeyers

Keyword(s):

Hydrogen Peroxide ◽

Ab Initio ◽

Energy Levels ◽

Torsional Energy

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A Perturbation Theory for the Population of Atomic Energy Levels in Non-Lte Plasmas

International Astronomical Union Colloquium ◽

10.1017/s025292110010805x ◽

1988 ◽

Vol 102 ◽

pp. 343-347

Author(s):

M. Klapisch

Keyword(s):

Perturbation Theory ◽

Small Parameter ◽

Classification Scheme ◽

Sum Rules ◽

Energy Levels ◽

Natural Classification ◽

Quantum Numbers ◽

Formal Expansion ◽

Atomic Energy Levels ◽

As Effects

AbstractA formal expansion of the CRM in powers of a small parameter is presented. The terms of the expansion are products of matrices. Inverses are interpreted as effects of cascades.It will be shown that this allows for the separation of the different contributions to the populations, thus providing a natural classification scheme for processes involving atoms in plasmas. Sum rules can be formulated, allowing the population of the levels, in some simple cases, to be related in a transparent way to the quantum numbers.

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