Studies in Molecular Structure. V. Computed Spectroscopic Constants for Selected Diatomic Molecules of the First Row

S. Fraga; B. J. Ransil

doi:10.1063/1.1731987

Studies in Molecular Structure. V. Computed Spectroscopic Constants for Selected Diatomic Molecules of the First Row

The Journal of Chemical Physics ◽

10.1063/1.1731987 ◽

1961 ◽

Vol 35 (2) ◽

pp. 669-678 ◽

Cited By ~ 86

Author(s):

S. Fraga ◽

B. J. Ransil

Keyword(s):

Molecular Structure ◽

Diatomic Molecules ◽

Spectroscopic Constants

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Accuracy of Computed Spectroscopic Constants from Hartree—Fock Wavefunctions for Diatomic Molecules

The Journal of Chemical Physics ◽

10.1063/1.1724878 ◽

1964 ◽

Vol 40 (1) ◽

pp. 243-244 ◽

Cited By ~ 19

Author(s):

A. D. McLean

Keyword(s):

Diatomic Molecules ◽

Spectroscopic Constants ◽

Hartree Fock

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Interpretation of spectroscopic constants of the asymptotically correct series for energies of rovibrational states of diatomic molecules

10.1117/12.131140 ◽

1992 ◽

Author(s):

Alexander V. Burenin ◽

M. Y. Ryabikin

Keyword(s):

Diatomic Molecules ◽

Spectroscopic Constants ◽

Rovibrational States

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Studies in Molecular Structure. II. LCAO-MO-SCF Wave Functions for Selected First-Row Diatomic Molecules

Reviews of Modern Physics ◽

10.1103/revmodphys.32.245 ◽

1960 ◽

Vol 32 (2) ◽

pp. 245-254 ◽

Cited By ~ 370

Author(s):

Bernard J. Ransil

Keyword(s):

Molecular Structure ◽

Diatomic Molecules ◽

Wave Functions ◽

Lcao Mo

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K.P. Huber and G. Herzberg, molecular spectra and molecular structure: IV constants of diatomic molecules

Analytica Chimica Acta ◽

10.1016/s0003-2670(01)95552-7 ◽

1982 ◽

Vol 144 ◽

pp. 298 ◽

Cited By ~ 5

Author(s):

J.A. Kerr

Keyword(s):

Molecular Structure ◽

Diatomic Molecules ◽

Molecular Spectra

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Studies in Molecular Structure. III. Populations Analyses for Selected First‐Row Diatomic Molecules

The Journal of Chemical Physics ◽

10.1063/1.1731669 ◽

1961 ◽

Vol 34 (3) ◽

pp. 727-742 ◽

Cited By ~ 23

Author(s):

Serafin Fraga ◽

Bernard J. Ransil

Keyword(s):

Molecular Structure ◽

Diatomic Molecules

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Prediction of spectroscopic constants for diatomic molecules in the ground and excited states using time-dependent density functional theory

Journal of Computational Chemistry ◽

10.1002/jcc.20330 ◽

2005 ◽

Vol 27 (2) ◽

pp. 163-173 ◽

Cited By ~ 11

Author(s):

Chantal T. Falzon ◽

Delano P. Chong ◽

Feng Wang

Keyword(s):

Density Functional Theory ◽

Excited States ◽

Density Functional ◽

Diatomic Molecules ◽

Time Dependent ◽

Spectroscopic Constants ◽

Functional Theory ◽

Dependent Density

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Molecular Spectra and Molecular Structure. I. Spectra of Diatomic Molecules

American Journal of Physics ◽

10.1119/1.1932852 ◽

1951 ◽

Vol 19 (6) ◽

pp. 390-391 ◽

Cited By ~ 109

Author(s):

Gerhard Herzberg ◽

S. Mrozowski

Keyword(s):

Molecular Structure ◽

Diatomic Molecules ◽

Molecular Spectra

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Ground state spectroscopic constants of H15NCS, HN13CS, and HNC34S, and the molecular structure of isothiocyanic acid

Journal of Molecular Spectroscopy ◽

10.1016/0022-2852(80)90215-5 ◽

1980 ◽

Vol 79 (2) ◽

pp. 295-313 ◽

Cited By ~ 53

Author(s):

Koichi Yamada ◽

Manfred Winnewisser ◽

Gisbert Winnewisser ◽

L.B Szalanski ◽

M.C.L Gerry

Keyword(s):

Molecular Structure ◽

Ground State ◽

Spectroscopic Constants

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Density functional theory predictions of anharmonicity and spectroscopic constants for diatomic molecules

The Journal of Chemical Physics ◽

10.1063/1.1386412 ◽

2001 ◽

Vol 115 (6) ◽

pp. 2439-2448 ◽

Cited By ~ 26

Author(s):

Mutasem Omar Sinnokrot ◽

C. David Sherrill

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Diatomic Molecules ◽

Spectroscopic Constants ◽

Functional Theory

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Hybrid Coupled Cluster Methods Based on the Split Virtual Orbitals: Barrier Heights of Reactions and Spectroscopic Constants of Open-Shell Diatomic Molecules

The Journal of Physical Chemistry A ◽

10.1021/jp309218q ◽

2013 ◽

Vol 117 (3) ◽

pp. 626-632 ◽

Cited By ~ 2

Author(s):

Zhuangfei Kou ◽

Jun Shen ◽

Enhua Xu ◽

Shuhua Li

Keyword(s):

Diatomic Molecules ◽

Open Shell ◽

Spectroscopic Constants ◽

Coupled Cluster ◽

Barrier Heights ◽

Coupled Cluster Methods ◽

Cluster Methods ◽

Virtual Orbitals

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