Normal coordinate treatment of 1-methylthymine in the crystalline state: Use of the ultraviolet resonance Raman intensities to improve the vibrational force field

Spectrochimica Acta Part A Molecular Spectroscopy ◽

10.1016/0584-8539(94)80145-2 ◽

1994 ◽

Vol 50 (5) ◽

pp. 961-971 ◽

Author(s):

P. Lagant ◽

G. Vergoten ◽

R. Efremov ◽

W.L. Peticolas

Keyword(s):

Force Field ◽

Crystalline State ◽

Resonance Raman ◽

Normal Coordinate ◽

Resonance Raman Intensities ◽

Raman Intensities ◽

Ultraviolet Resonance Raman ◽

Coordinate Treatment

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Normal coordinate treatment of 1-methyluracil in the crystal state: Use of the ultraviolet resonance Raman intensities to improve the vibrational force field

Spectrochimica Acta Part A Molecular Spectroscopy ◽

10.1016/0584-8539(92)80138-m ◽

1992 ◽

Vol 48 (10) ◽

pp. 1323-1333 ◽

Author(s):

P. Lagant ◽

A. Elass ◽

M. Dauchez ◽

G. Vergoten ◽

W.L. Peticolas

Keyword(s):

Force Field ◽

Resonance Raman ◽

Normal Coordinate ◽

Crystal State ◽

Resonance Raman Intensities ◽

Raman Intensities ◽

Ultraviolet Resonance Raman ◽

Coordinate Treatment

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A force field derived by density functional theory for 4-ethylimidazole: use of the ultraviolet resonance Raman intensities to check the vibrational analysis

Journal of Raman Spectroscopy ◽

10.1002/(sici)1097-4555(199711)28:11<909::aid-jrs187>3.0.co;2-x ◽

1997 ◽

Vol 28 (11) ◽

pp. 909-916 ◽

Author(s):

H. Gallouj ◽

P. Lagant ◽

G. Vergoten

Keyword(s):

Density Functional Theory ◽

Force Field ◽

Density Functional ◽

Resonance Raman ◽

Vibrational Analysis ◽

Functional Theory ◽

Resonance Raman Intensities ◽

Raman Intensities ◽

Ultraviolet Resonance Raman

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A density functional theory-derived force field for 3-ethylindole. Use of the ultraviolet resonance Raman intensities to check the vibrational analysis accuracy

Journal of Raman Spectroscopy ◽

10.1002/(sici)1097-4555(199805)29:5<343::aid-jrs237>3.0.co;2-6 ◽

1998 ◽

Vol 29 (5) ◽

pp. 343-351 ◽

Author(s):

H. Gallouj ◽

P. Lagant ◽

G. Vergoten

Keyword(s):

Density Functional Theory ◽

Force Field ◽

Density Functional ◽

Resonance Raman ◽

Vibrational Analysis ◽

Functional Theory ◽

Resonance Raman Intensities ◽

Raman Intensities ◽

Ultraviolet Resonance Raman

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A density functional theory derived force field for p-cresol. Use of the ultraviolet resonance Raman intensities to check the vibrational analysis accuracy

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(95)90651-7 ◽

1995 ◽

Vol 372 (1) ◽

pp. 53-68 ◽

Author(s):

P Lagant ◽

H Gallouj ◽

G Vergoten

Keyword(s):

Density Functional Theory ◽

Force Field ◽

Density Functional ◽

Resonance Raman ◽

Vibrational Analysis ◽

Functional Theory ◽

Resonance Raman Intensities ◽

Raman Intensities ◽

Ultraviolet Resonance Raman

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A density functional theory derived force field for p-cresol. Use of the ultraviolet resonance Raman intensities to check the vibrational analysis accuracy

Journal of Molecular Structure ◽

10.1016/0022-2860(95)08965-9 ◽

1995 ◽

Vol 372 (1) ◽

pp. 53-68 ◽

Author(s):

P. Lagant ◽

H. Gallouj ◽

G. Vergoten

Keyword(s):

Density Functional Theory ◽

Force Field ◽

Density Functional ◽

Resonance Raman ◽

Vibrational Analysis ◽

Functional Theory ◽

Resonance Raman Intensities ◽

Raman Intensities ◽

Ultraviolet Resonance Raman

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Determination of force fields for nucleic acid bases. use of the ultraviolet resonance Raman intensities to check the vibrational assignments

Journal of Raman Spectroscopy ◽

10.1002/(sici)1097-4555(199911)30:11<1001::aid-jrs430>3.0.co;2-4 ◽

1999 ◽

Vol 30 (11) ◽

pp. 1001-1007 ◽

Author(s):

P. Lagant ◽

G. Vergoten ◽

W. L. Peticolas

Keyword(s):

Nucleic Acid ◽

Force Fields ◽

Resonance Raman ◽

Nucleic Acid Bases ◽

Vibrational Assignments ◽

Resonance Raman Intensities ◽

Raman Intensities ◽

Ultraviolet Resonance Raman

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Effects of hydration on the structure, vibrational wavenumbers, vibrational force field and resonance raman intensities ofN-methylacetamide

Journal of Raman Spectroscopy ◽

10.1002/(sici)1097-4555(199806)29:6<537::aid-jrs272>3.0.co;2-x ◽

1998 ◽

Vol 29 (6) ◽

pp. 537-546 ◽

Author(s):

Hajime Torii ◽

Tomoaki Tatsumi ◽

Mitsuo Tasumi

Keyword(s):

Force Field ◽

Resonance Raman ◽

Resonance Raman Intensities ◽

Raman Intensities ◽

Vibrational Wavenumbers

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Effects of Solvation on the Ultraviolet Resonance Raman Intensities of PI-Electrons Systems:

Fifth International Conference on the Spectroscopy of Biological Molecules ◽

10.1007/978-94-011-1934-4_4 ◽

1993 ◽

pp. 17-18

Author(s):

P. Lagant ◽

G. Vergoten

Keyword(s):

Resonance Raman ◽

Resonance Raman Intensities ◽

Raman Intensities ◽

Ultraviolet Resonance Raman

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Use of the Resonance Raman Intensities To Check the Density Functional Theory Derived Force Field of the Free Base Porphine

The Journal of Physical Chemistry A ◽

10.1021/jp992490r ◽

2000 ◽

Vol 104 (3) ◽

pp. 618-625 ◽

Author(s):

Mouhsine Tazi ◽

Philippe Lagant ◽

Gérard Vergoten

Keyword(s):

Density Functional Theory ◽

Force Field ◽

Density Functional ◽

Resonance Raman ◽

Free Base ◽

Functional Theory ◽

The Density Functional Theory ◽

Resonance Raman Intensities ◽

Raman Intensities

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The use of ultraviolet resonance Raman intensities to test proposed molecular force fields for nucleic acid bases

Journal of Computational Chemistry ◽

10.1002/jcc.540120610 ◽

1991 ◽

Vol 12 (6) ◽

pp. 731-741 ◽

Author(s):

Philippe Lagant ◽

Philippe Derreumaux ◽

Gerard Vergoten ◽

Warner Peticolas

Keyword(s):

Nucleic Acid ◽

Force Fields ◽

Resonance Raman ◽

Nucleic Acid Bases ◽

Molecular Force ◽

Resonance Raman Intensities ◽

Raman Intensities ◽

Ultraviolet Resonance Raman

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