Density Functional theory Study of Vibrational Spectra. 2. Assignment of Fundamental Vibrational Frequencies of Fulvene

Christine J. M. Wheeless; Xuefeng Zhou; Ruifeng Liu

doi:10.1021/j100033a019

Density Functional theory Study of Vibrational Spectra. 2. Assignment of Fundamental Vibrational Frequencies of Fulvene

The Journal of Physical Chemistry ◽

10.1021/j100033a019 ◽

1995 ◽

Vol 99 (33) ◽

pp. 12488-12492 ◽

Cited By ~ 40

Author(s):

Christine J. M. Wheeless ◽

Xuefeng Zhou ◽

Ruifeng Liu

Keyword(s):

Density Functional Theory ◽

Vibrational Spectra ◽

Density Functional ◽

Vibrational Frequencies ◽

Density Functional Theory Study ◽

Functional Theory

Density functional theory study of vibrational spectra, 6: assignment of fundamental vibrational frequencies of benzene isomers: Dewar benzene, benzvalene, trimethylenecyclopropane, prismane, and 3,4-dimethylenecyclobutene

Spectrochimica Acta Part A Molecular Spectroscopy ◽

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1997 ◽

Vol 53 (2) ◽

pp. 259-269 ◽

Cited By ~ 19

Author(s):

X Zhou

Keyword(s):

Density Functional Theory ◽

Vibrational Spectra ◽

Density Functional ◽

Vibrational Frequencies ◽

Density Functional Theory Study ◽

Functional Theory

Density functional theory study of vibrational spectra, 6: assignment of fundamental vibrational frequencies of benzene isomers: Dewar benzene, benzvalene, trimethylenecyclopropane, prismane, and 3,4-dimethylenecyclobutene

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/s1386-1425(96)01724-6 ◽

1997 ◽

Vol 53 (2) ◽

pp. 259-269 ◽

Cited By ~ 2

Author(s):

Xuefeng Zhou ◽

Ruifeng Liu

Keyword(s):

Density Functional Theory ◽

Vibrational Spectra ◽

Density Functional ◽

Vibrational Frequencies ◽

Density Functional Theory Study ◽

Functional Theory

Density functional theory study of vibrational spectra. 1. Performance of several density functional methods in predicting vibrational frequencies

Vibrational Spectroscopy ◽

10.1016/0924-2031(96)00009-4 ◽

1996 ◽

Vol 12 (1) ◽

pp. 53-63 ◽

Cited By ~ 26

Author(s):

Xuefeng Zhou ◽

Christine J.M. Wheeless ◽

Ruifeng Liu

Keyword(s):

Density Functional Theory ◽

Vibrational Spectra ◽

Density Functional ◽

Vibrational Frequencies ◽

Density Functional Theory Study ◽

Functional Theory ◽

Density Functional Methods ◽

Functional Methods

Ab initio Hartree–Fock and density functional theory study on molecular structures, energies, and vibrational frequencies of conformations of 2-hydroxy-3-nitropyridine and 3-hydroxy-2-nitropyridine

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2007.07.047 ◽

2008 ◽

Vol 70 (3) ◽

pp. 524-531 ◽

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Author(s):

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Vesile Güçlü ◽

Adnan Sağlam

Keyword(s):

Density Functional Theory ◽

Ab Initio ◽

Density Functional ◽

Vibrational Frequencies ◽

Molecular Structures ◽

Density Functional Theory Study ◽

Functional Theory ◽

Hartree Fock

ATR–FTIR and Density Functional Theory Study of the Structures, Energetics, and Vibrational Spectra of Phosphate Adsorbed onto Goethite

Langmuir ◽

10.1021/la303111a ◽

2012 ◽

Vol 28 (41) ◽

pp. 14573-14587 ◽

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Kristian W. Paul ◽

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Qing Zhu ◽

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...

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Density Functional Theory ◽

Vibrational Spectra ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

Density functional theory study of vibrational spectra, and assignment of fundamental vibrational modes of succinimide and N-bromosuccinimide

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2005.02.052 ◽

2005 ◽

Vol 62 (4-5) ◽

pp. 931-939 ◽

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Author(s):

V. Krishnakumar ◽

R. John Xavier ◽

T. Chithambarathanu

Keyword(s):

Density Functional Theory ◽

Vibrational Spectra ◽

Density Functional ◽

Vibrational Modes ◽

Density Functional Theory Study ◽

Functional Theory

Solvent Effects on Molecular Structure, Vibrational Frequencies, and NLO Properties of N-(2,3-Dichlorophenyl)-2-Nitrobenzene–Sulfonamide: a Density Functional Theory Study

Brazilian Journal of Physics ◽

10.1007/s13538-016-0419-2 ◽

2016 ◽

Vol 46 (4) ◽

pp. 371-383 ◽

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Author(s):

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Nourdine Boukabcha ◽

Ömer Tamer ◽

Abdelkader Chouaih ◽

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...

Keyword(s):

Molecular Structure ◽

Density Functional Theory ◽

Solvent Effects ◽

Density Functional ◽

Vibrational Frequencies ◽

Density Functional Theory Study ◽

Functional Theory ◽

Nlo Properties

Structure and vibrational frequencies of 6-chloro-8-thia-1,4-epoxybicyclo[4.3.0]non-2-ene: density functional theory study

Molecular Simulation ◽

10.1080/08927020701632862 ◽

2008 ◽

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pp. 567-574 ◽

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Author(s):

H. Arslan ◽

A. Demircan

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Vibrational Frequencies ◽

Density Functional Theory Study ◽

Functional Theory

Density functional theory study of vibrational spectra, and assignment of fundamental vibrational modes of 1-bromo 4-fluoronaphthalene

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2007.07.063 ◽

2008 ◽

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pp. 991-996 ◽

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Author(s):

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Keyword(s):

Density Functional Theory ◽

Vibrational Spectra ◽

Density Functional ◽

Vibrational Modes ◽

Density Functional Theory Study ◽

Functional Theory

ChemInform Abstract: Molecular Structure and Vibrational Spectra of 9-Fluorenone Density Functional Theory Study.

ChemInform ◽

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S. Y. LEE ◽

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Keyword(s):

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Density Functional ◽

Density Functional Theory Study ◽

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