infrared and raman intensities Latest Research Papers

Performance of the reduced-size polarized Z3PolX basis set in calculations of vibrational polarizabilities, infrared, and Raman intensities: Application to formaldehyde molecule

International Journal of Quantum Chemistry ◽

10.1002/qua.20652 ◽

2005 ◽

Vol 104 (5) ◽

pp. 660-666 ◽

Cited By ~ 3

Author(s):

Robert Zaleśny ◽

Wojciech Bartkowiak

Keyword(s):

Basis Set ◽

Formaldehyde Molecule ◽

Raman Intensities ◽

Infrared And Raman Intensities

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Infrared, Raman and far infrared spectra, ab initio calculations, and internal rotation of 3-fluoro-3-methyl-1-butyneElectronic supplementary information (ESI) available: symmetry coordinates for vibrations (Table S1), symmetry selection rules for torsional transitions (Table S2), minimum, maximum and saddle point of potential function (Table S3), and predicted infrared and Raman intensities (Table S4). See http://www.rsc.org/suppdata/cp/b4/b404641b/.

Physical Chemistry Chemical Physics ◽

10.1039/b404641b ◽

2004 ◽

Vol 6 (15) ◽

pp. 3919 ◽

Cited By ~ 6

Author(s):

Gamil A. Guirgis ◽

Stephen Bell ◽

Peter Groner ◽

Chao Zheng ◽

James R. Durig

Keyword(s):

Saddle Point ◽

Ab Initio Calculations ◽

Ab Initio ◽

Infrared Spectra ◽

Far Infrared ◽

Supplementary Information ◽

Symmetry Coordinates ◽

Function Table ◽

Far Infrared Spectra ◽

Infrared And Raman Intensities

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Relationship between infrared and Raman intensities in molecules with polarized π electrons

Journal of Molecular Structure ◽

10.1016/s0022-2860(98)00915-6 ◽

1999 ◽

Vol 480-481 ◽

pp. 179-188 ◽

Cited By ~ 52

Author(s):

M. Tommasini ◽

C. Castiglioni ◽

M. Del Zoppo ◽

G. Zerbi

Keyword(s):

Raman Intensities ◽

Infrared And Raman Intensities

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Roles of central and terminal carbon atoms in infrared and Raman intensities of polyenes: Analysis of atomic polar and polarizability tensors

The Journal of Chemical Physics ◽

10.1063/1.474850 ◽

1997 ◽

Vol 107 (13) ◽

pp. 4881-4885 ◽

Cited By ~ 12

Author(s):

Jin Yong Lee ◽

Byung Jin Mhin ◽

Kwang S. Kim

Keyword(s):

Raman Intensities ◽

Infrared And Raman Intensities

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Effective bond charges from infrared and Raman intensities

Journal of Molecular Structure ◽

10.1016/s0022-2860(96)09652-4 ◽

1997 ◽

Vol 408-409 ◽

pp. 57-62 ◽

Cited By ~ 1

Author(s):

B. Galabov ◽

T. Dudev ◽

S. Ilieva

Keyword(s):

Raman Intensities ◽

Infrared And Raman Intensities

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Quantum Chemical Calculations of Infrared and Raman Intensities for Diatomics on the Basis of the Virial Theorem

The Journal of Physical Chemistry ◽

10.1021/jp952813t ◽

1996 ◽

Vol 100 (15) ◽

pp. 6359-6361 ◽

Cited By ~ 2

Author(s):

V. V. Rossikhin ◽

E. O. Voronkov ◽

V. V. Kuz'menko ◽

Yu. A. Kruglyak

Keyword(s):

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Virial Theorem ◽

Raman Intensities ◽

Infrared And Raman Intensities

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Theory of distortion induced infrared and Raman intensities of forbidden modes of molecular units in crystals: Relaxation of selection rules

Spectrochimica Acta Part A Molecular Spectroscopy ◽

10.1016/0584-8539(88)80247-2 ◽

1988 ◽

Vol 44 (2) ◽

pp. 227-231 ◽

Cited By ~ 6

Author(s):

R. Bhattacharjee ◽

Y.S. Jaint

Keyword(s):

Selection Rules ◽

Raman Intensities ◽

Infrared And Raman Intensities

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Geometries, harmonic frequencies and infrared and Raman intensities for H2O, NH3 and CH4

Journal of the Chemical Society Faraday Transactions 2 Molecular and Chemical Physics ◽

10.1039/f29878301595 ◽

1987 ◽

Vol 83 (9) ◽

pp. 1595 ◽

Cited By ~ 34

Author(s):

Roger D. Amos

Keyword(s):

Harmonic Frequencies ◽

Raman Intensities ◽

Infrared And Raman Intensities

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ChemInform Abstract: INFRARED AND RAMAN INTENSITIES 1977-1979

Chemischer Informationsdienst ◽

10.1002/chin.198440370 ◽

1984 ◽

Vol 15 (40) ◽

Author(s):

D. STEELE

Keyword(s):

Raman Intensities ◽

Infrared And Raman Intensities

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Infrared and Raman intensities 1977–1979

Journal of Molecular Structure ◽

10.1016/0022-2860(84)85133-9 ◽

1984 ◽

Vol 117 (3-4) ◽

pp. 163-191 ◽

Cited By ~ 7

Author(s):

D. Steele

Keyword(s):

Raman Intensities ◽

Infrared And Raman Intensities

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infrared and raman intensities
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H-INDEX

Performance of the reduced-size polarized Z3PolX basis set in calculations of vibrational polarizabilities, infrared, and Raman intensities: Application to formaldehyde molecule

Relationship between infrared and Raman intensities in molecules with polarized π electrons

Roles of central and terminal carbon atoms in infrared and Raman intensities of polyenes: Analysis of atomic polar and polarizability tensors

Effective bond charges from infrared and Raman intensities

Quantum Chemical Calculations of Infrared and Raman Intensities for Diatomics on the Basis of the Virial Theorem

Theory of distortion induced infrared and Raman intensities of forbidden modes of molecular units in crystals: Relaxation of selection rules

Geometries, harmonic frequencies and infrared and Raman intensities for H2O, NH3 and CH4

ChemInform Abstract: INFRARED AND RAMAN INTENSITIES 1977-1979

Infrared and Raman intensities 1977–1979

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infrared and raman intensitiesRecently Published Documents

TOTAL DOCUMENTS

H-INDEX

Performance of the reduced-size polarized Z3PolX basis set in calculations of vibrational polarizabilities, infrared, and Raman intensities: Application to formaldehyde molecule

Relationship between infrared and Raman intensities in molecules with polarized π electrons

Roles of central and terminal carbon atoms in infrared and Raman intensities of polyenes: Analysis of atomic polar and polarizability tensors

Effective bond charges from infrared and Raman intensities

Quantum Chemical Calculations of Infrared and Raman Intensities for Diatomics on the Basis of the Virial Theorem

Theory of distortion induced infrared and Raman intensities of forbidden modes of molecular units in crystals: Relaxation of selection rules

Geometries, harmonic frequencies and infrared and Raman intensities for H2O, NH3 and CH4

ChemInform Abstract: INFRARED AND RAMAN INTENSITIES 1977-1979

Infrared and Raman intensities 1977–1979

infrared and raman intensities
Recently Published Documents