Force fields and assignments of the vibrational spectra of acridine and phenazine—an ab initio study

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(99)00405-4 ◽

2000 ◽

Vol 507 (1-3) ◽

pp. 217-227 ◽

Author(s):

I. Bandyopadhyay ◽

S. Manogaran

Keyword(s):

Ab Initio ◽

Vibrational Spectra ◽

Force Fields ◽

Ab Initio Study

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Ab initio study of the structure, force fields, and vibrational spectra of alkali metal tellurites

Journal of Structural Chemistry ◽

10.1007/bf02700630 ◽

1999 ◽

Vol 40 (3) ◽

pp. 358-367

Author(s):

V. G. Solomonik ◽

A. V. Marenich

Keyword(s):

Alkali Metal ◽

Ab Initio ◽

Vibrational Spectra ◽

Force Fields ◽

Ab Initio Study

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ChemInform Abstract: Structure, Force Fields, and Vibrational Spectra of Molybdenum and Tungsten Hexafluoride Molecules: An ab initio Study with the Use of Relativistic Effective Core Potentials.

10.1002/chin.200043001 ◽

2000 ◽

Vol 31 (43) ◽

pp. no-no

Author(s):

V. V. Sliznev ◽

V. G. Solomonik

Keyword(s):

Ab Initio ◽

Vibrational Spectra ◽

Force Fields ◽

Ab Initio Study ◽

Tungsten Hexafluoride ◽

Abstract Structure ◽

Effective Core Potentials ◽

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Ab initio study of the molecular structures, force fields, and vibrational spectra of alkaline metal fluoride dimers MM′F2 (M, M′=Li, Na, K)

Journal of Structural Chemistry ◽

10.1007/bf02873612 ◽

1998 ◽

Vol 39 (2) ◽

pp. 158-168 ◽

Author(s):

V. G. Solomonik ◽

V. V. Sliznev

Keyword(s):

Ab Initio ◽

Vibrational Spectra ◽

Force Fields ◽

Molecular Structures ◽

Metal Fluoride ◽

Alkaline Metal ◽

Ab Initio Study

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An ab-initio study of the vibrational spectra of the ion hydrates H+(H2O)2 and H+(H2O)3

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(86)80025-2 ◽

1986 ◽

Vol 138 (3-4) ◽

pp. 333-340 ◽

Author(s):

G.R.J. Williams

Keyword(s):

Ab Initio ◽

Vibrational Spectra ◽

Ab Initio Study

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Ab initio study on the structure and vibrational spectra of dinitrogen trioxide and its isomers

Journal of Molecular Structure ◽

10.1016/s0022-2860(96)09353-2 ◽

1997 ◽

Vol 403 (3) ◽

pp. 245-251 ◽

Author(s):

Xuefeng Wang ◽

Qike Zheng ◽

Kangnian Fan

Keyword(s):

Ab Initio ◽

Vibrational Spectra ◽

Ab Initio Study

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Ab Initio Study of Vibrational Spectra of p-tert-Butylcalix[4]aryl Ester Complexed with Alkali Metal Cation

Journal of the Korean Chemical Society ◽

10.5012/jkcs.2006.50.1.007 ◽

2006 ◽

Vol 50 (1) ◽

pp. 7-13 ◽

Keyword(s):

Alkali Metal ◽

Ab Initio ◽

Vibrational Spectra ◽

Metal Cation ◽

Alkali Metal Cation ◽

Ab Initio Study ◽

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Ab initio study of the vibrational spectra of the allyl and the cyclopropyl radicals

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(89)85027-4 ◽

1989 ◽

Vol 188 (1-2) ◽

pp. 79-94 ◽

Author(s):

C. Cometta-Morini ◽

T.-K. Ha ◽

J.F.M. Oth

Keyword(s):

Ab Initio ◽

Vibrational Spectra ◽

Ab Initio Study

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ChemInform Abstract: A Comparative ab initio Study of Amides. Part 1. Force Fields and Vibrational Assignments for Formamide, Acetamide and N-Methylformamide

Chemischer Informationsdienst ◽

10.1002/chin.198612081 ◽

1986 ◽

Vol 17 (12) ◽

Author(s):

G. FOGARASI ◽

A. BALAZS

Keyword(s):

Ab Initio ◽

Force Fields ◽

Ab Initio Study ◽

Vibrational Assignments

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From butadiene to polyacetylene: An ab initio study on the vibrational spectra of polyenes

The Journal of Chemical Physics ◽

10.1063/1.462119 ◽

1992 ◽

Vol 96 (2) ◽

pp. 982-996 ◽

Author(s):

Manfred Kofranek ◽

Hans Lischka ◽

Alfred Karpfen

Keyword(s):

Ab Initio ◽

Vibrational Spectra ◽

Ab Initio Study

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Ab initio study of phenyl benzoate: structure, conformational analysis, dipole moment, IR and Raman vibrational spectra

Journal of Molecular Modeling ◽

10.1007/s00894-003-0138-9 ◽

2003 ◽

Vol 9 (4) ◽

pp. 248-258 ◽

Author(s):

Katarzyna Merkel ◽

Antoni Kocot ◽

Roman Wrzalik

Keyword(s):

Dipole Moment ◽

Conformational Analysis ◽

Ab Initio ◽

Vibrational Spectra ◽

Ab Initio Study ◽

Phenyl Benzoate ◽

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