Theoretical investigation of the normal-mode vibrational frequencies and intensities of ethylene

Angela M. Ahern; Robin L. Garrell; Kenneth D. Jordan

doi:10.1021/j100333a012

Theoretical investigation of the normal-mode vibrational frequencies and intensities of ethylene

The Journal of Physical Chemistry ◽

10.1021/j100333a012 ◽

1988 ◽

Vol 92 (22) ◽

pp. 6228-6232 ◽

Cited By ~ 26

Author(s):

Angela M. Ahern ◽

Robin L. Garrell ◽

Kenneth D. Jordan

Keyword(s):

Normal Mode ◽

Theoretical Investigation ◽

Vibrational Frequencies

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Interaction of the water dimer with π-systems: A theoretical investigation of structures, energies, and vibrational frequencies

The Journal of Chemical Physics ◽

10.1063/1.480774 ◽

2000 ◽

Vol 112 (4) ◽

pp. 1769-1781 ◽

Cited By ~ 39

Author(s):

P. Tarakeshwar ◽

Kwang S. Kim ◽

B. Brutschy

Keyword(s):

Theoretical Investigation ◽

Vibrational Frequencies ◽

Water Dimer

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Dependence of disulfide vibrational frequencies on internal rotation geometry: an ab initio and normal mode study of dimethyl disulfide

Journal of the American Chemical Society ◽

10.1021/ja00228a052 ◽

1988 ◽

Vol 110 (20) ◽

pp. 6891-6892 ◽

Cited By ~ 13

Author(s):

W. Zhao ◽

J. Bandekar ◽

Samuel. Krimm

Keyword(s):

Ab Initio ◽

Internal Rotation ◽

Normal Mode ◽

Dimethyl Disulfide ◽

Vibrational Frequencies ◽

Mode Study

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Experimental and Theoretical Investigation of the Geometry and Vibrational Frequencies of 1,2,3-Triazole, 1,2,4-Triazole, and Tetrazole Anions

The Journal of Physical Chemistry A ◽

10.1021/jp9719568 ◽

1998 ◽

Vol 102 (3) ◽

pp. 620-629 ◽

Cited By ~ 32

Author(s):

A. A. El-Azhary ◽

H. U. Suter ◽

J. Kubelka

Keyword(s):

Theoretical Investigation ◽

Vibrational Frequencies

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Theoretical investigation of the energy, structure, vibrational frequencies, and infrared intensities of low-lying electronic states of the symmetric azacyclopentadienylidenes

The Journal of Physical Chemistry ◽

10.1021/j100179a025 ◽

1991 ◽

Vol 95 (26) ◽

pp. 10623-10630 ◽

Cited By ~ 3

Author(s):

Jaume Farras ◽

Santiago Olivella ◽

Albert Sole ◽

Jaume Vilarrasa

Keyword(s):

Theoretical Investigation ◽

Electronic States ◽

Vibrational Frequencies ◽

Energy Structure ◽

Infrared Intensities

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Normal-mode vibrational frequencies and thermodynamic properties of uracil and 4-hydroxyuracil

International Journal of Quantum Chemistry ◽

10.1002/qua.560180146 ◽

1980 ◽

Vol 18 (1) ◽

pp. 323-329 ◽

Cited By ~ 36

Author(s):

Masayuki Shibata ◽

Theresa Julia Zielinski ◽

Robert Rein

Keyword(s):

Thermodynamic Properties ◽

Normal Mode ◽

Vibrational Frequencies

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A method for the calculation of normal-mode vibrational frequencies using symmetry coordinates. Application to the calculation of secondary deuterium isotope effects on carbocations

Journal of Computational Chemistry ◽

10.1002/jcc.540040408 ◽

1983 ◽

Vol 4 (4) ◽

pp. 499-505 ◽

Cited By ~ 7

Author(s):

Robert F. Hout ◽

Beverly A. Levi ◽

Warren J. Hehre

Keyword(s):

Normal Mode ◽

Isotope Effects ◽

Vibrational Frequencies ◽

Symmetry Coordinates ◽

Deuterium Isotope Effects

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Theoretical Investigation on the Substituent Effect of Halogen Atoms at the C8 Position of Adenine: Relative Stability, Vibrational Frequencies, and Raman Spectra of Tautomers

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.6b03604 ◽

2016 ◽

Vol 120 (23) ◽

pp. 4049-4058 ◽

Cited By ~ 8

Author(s):

Yan-Li Chen ◽

De-Yin Wu ◽

Zhong-Qun Tian

Keyword(s):

Raman Spectra ◽

Theoretical Investigation ◽

Relative Stability ◽

Substituent Effect ◽

Vibrational Frequencies ◽

Halogen Atoms

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A theoretical investigation of the geometries, vibrational frequencies, and binding energies of several alkali halide dimers

The Journal of Chemical Physics ◽

10.1063/1.464197 ◽

1993 ◽

Vol 98 (3) ◽

pp. 2182-2190 ◽

Cited By ~ 20

Author(s):

Robert P. Dickey ◽

David Maurice ◽

Robert J. Cave ◽

Richard Mawhorter

Keyword(s):

Theoretical Investigation ◽

Alkali Halide ◽

Vibrational Frequencies ◽

Binding Energies

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Experimental and Theoretical Investigation of Molecular Structure and Vibrational Frequencies of 3-Cyano-7-hydroxycoumarin by Density Functional Theory

Süleyman Demirel Üniversitesi Fen Bilimleri Enstitüsü Dergisi ◽

10.19113/sdufbed.09372 ◽

2017 ◽

Vol 21 (3) ◽

pp. 767

Author(s):

Adnan SAĞLAM

Keyword(s):

Molecular Structure ◽

Density Functional Theory ◽

Theoretical Investigation ◽

Density Functional ◽

Vibrational Frequencies ◽

Functional Theory

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An DFT studies of conformational stability, vibrational frequencies and normal mode analysis of 3-bromo-1-butene

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2005.01.032 ◽

2005 ◽

Vol 722 (1-3) ◽

pp. 103-110 ◽

Cited By ~ 1

Author(s):

Min-Joo Lee

Keyword(s):

Normal Mode ◽

Normal Mode Analysis ◽

Conformational Stability ◽

Vibrational Frequencies ◽

Mode Analysis ◽

Dft Studies

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