Works matching IS 03770486 AND DT 1998 AND VI 29 AND IP 6

Results: 11

Raman spectrum of coronene: a scaled quantum mechanical force field study.

Published in:

Journal of Raman Spectroscopy, 1998, v. 29, n. 6, p. 473, doi. 10.1002/(SICI)1097-4555(199806)29:6<473::AID-JRS267>3.0.CO;2-U

By:

Fleischer, Ulrich;
Pulay, Peter

Publication type:

Article

Infrared and Raman spectra of binuclear aromatic molecules: a density functional theory study.

Published in:

Journal of Raman Spectroscopy, 1998, v. 29, n. 6, p. 501, doi. 10.1002/(SICI)1097-4555(199806)29:6<501::AID-JRS270>3.0.CO;2-N

By:

Negri, Fabrizia;
Orlandi, Giorgio

Publication type:

Article

Vibrational spectrum of pyridazine.

Published in:

Journal of Raman Spectroscopy, 1998, v. 29, n. 6, p. 547, doi. 10.1002/(SICI)1097-4555(199806)29:6<547::AID-JRS280>3.0.CO;2-0

By:

Vázquez, Juana;
Gozález, Juan Jesús López;
Márquez, F.;
Boggs, James E.

Publication type:

Article

Ab initio calculation of the conformational stability, vibrational wavenumbers, Raman and infrared intensities and structural parameters of chloromethyldichlorophosphine.

Published in:

Journal of Raman Spectroscopy, 1998, v. 29, n. 6, p. 463, doi. 10.1002/(SICI)1097-4555(199806)29:6<463::AID-JRS266>3.0.CO;2-Y

By:

Durig, J. R.;
Xiao, Jinpeng;
Robb, J. B.;
Daeyaert, F. F. D.

Publication type:

Article

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

Published in:

Journal of Raman Spectroscopy, 1998, v. 29, n. 6, p. 537, doi. 10.1002/(SICI)1097-4555(199806)29:6<537::AID-JRS272>3.0.CO;2-X

By:

Torii, Hajime;
Tatsumi, Tomoaki;
Tasumi, Mitsuo

Publication type:

Article

Ab initio and density functional study of the resonance Raman spectra of Methyl Red, Ethyl Red and their protonated derivatives.

Published in:

Journal of Raman Spectroscopy, 1998, v. 29, n. 6, p. 447, doi. 10.1002/(SICI)1097-4555(199806)29:6<447::AID-JRS265>3.0.CO;2-R

By:

Bell, Stephen;
Bisset, Alison;
Dines, Trevor J.

Publication type:

Article

Resonance Raman spectroscopy as a test of ab initio methods for the computation of molecular potential energy surfaces.

Published in:

Journal of Raman Spectroscopy, 1998, v. 29, n. 6, p. 489, doi. 10.1002/(SICI)1097-4555(199806)29:6<489::AID-JRS269>3.0.CO;2-5

By:

Hudson, Bruce S.;
Markham, Laura M.

Publication type:

Article

Vibrational analysis of some transient species implicated in the photoreduction of 4,4′-bipyridine based on ab initio and density functional calculations.

Published in:

Journal of Raman Spectroscopy, 1998, v. 29, n. 6, p. 511, doi. 10.1002/(SICI)1097-4555(199806)29:6<511::AID-JRS271>3.0.CO;2-J

By:

Castellà-Ventura, Martine;
Kassab, Emile

Publication type:

Article

Anharmonicity of excited-state potential surfaces: quantum chemical analysis and resonance Raman intensities.

Published in:

Journal of Raman Spectroscopy, 1998, v. 29, n. 6, p. 439, doi. 10.1002/(SICI)1097-4555(199806)29:6<439::AID-JRS264>3.0.CO;2-P

By:

Brouwer, A. M.;
Svendsen, C.;
Mortensen, O. S.;
Wilbrandt, R.

Publication type:

Article

Density functional study of the infrared vibrational spectra of C.

Published in:

Journal of Raman Spectroscopy, 1998, v. 29, n. 6, p. 483, doi. 10.1002/(SICI)1097-4555(199806)29:6<483::AID-JRS268>3.0.CO;2-Q

By:

Stratmann, R. Eric;
Scuseria, Gustavo E.;
Frisch, Michael J.

Publication type:

Article

Foreword to the special issue on ab initio and density functional methods for Raman wavenumbers and intensities.

Published in:

Journal of Raman Spectroscopy, 1998, v. 29, n. 6, p. 437, doi. 10.1002/(SICI)1097-4555(199806)29:6<437::AID-JRS281>3.0.CO;2-1

By:

Myers, Anne B.

Publication type:

Article