An extensiveab initiostudy of the structures, vibrational spectra, quadratic force fields, and relative energetics of three isomers of Cl2O2

Timothy J. Lee; Celeste McMichael Rohlfing; Julia E. Rice

doi:10.1063/1.463663

An extensiveab initiostudy of the structures, vibrational spectra, quadratic force fields, and relative energetics of three isomers of Cl2O2

The Journal of Chemical Physics ◽

10.1063/1.463663 ◽

1992 ◽

Vol 97 (9) ◽

pp. 6593-6605 ◽

Cited By ~ 63

Author(s):

Timothy J. Lee ◽

Celeste McMichael Rohlfing ◽

Julia E. Rice

Keyword(s):

Vibrational Spectra ◽

Force Fields

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Vibrational spectra and assignments of MeMn(CO)5 and MeRe(CO)5 species, energy-factored and A1 force fields, and a further effect of free internal rotation

Journal of the American Chemical Society ◽

10.1021/ja00265a002 ◽

1986 ◽

Vol 108 (5) ◽

pp. 863-871 ◽

Cited By ~ 22

Author(s):

G. P. McQuillan ◽

D. C. McKean ◽

C. Long ◽

A. R. Morrisson ◽

I. Torto

Keyword(s):

Internal Rotation ◽

Vibrational Spectra ◽

Force Fields ◽

Vibrational Spectra And Assignments

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Vibrational spectra and force fields of (CH3)3six-type molecules. 1. Refinement of the dynamic (CH3)3Si-group model

Bulletin of the Academy of Sciences of the USSR Division of Chemical Science ◽

10.1007/bf00923862 ◽

1978 ◽

Vol 27 (2) ◽

pp. 291-295

Author(s):

A. N. Lazarev ◽

T. F. Tenisheva

Keyword(s):

Vibrational Spectra ◽

Force Fields ◽

Group Model

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ChemInform Abstract: LOCAL SYMMETRY FORCE FIELDS OF CYCLIC MOLECULES. III. INTERPRETATION OF VIBRATIONAL SPECTRA OF CRYSTALLINE α- AND β-GLUCOSE

Chemischer Informationsdienst ◽

10.1002/chin.198143041 ◽

1981 ◽

Vol 12 (43) ◽

Author(s):

J. P. HUVENNE ◽

G. VERGOTEN ◽

G. FLEURY ◽

P. LEGRAND

Keyword(s):

Vibrational Spectra ◽

Force Fields ◽

Local Symmetry ◽

Cyclic Molecules

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Chapter 5: Calculated and experimental vibrational spectra and force fields of isolated pyrimidine bases

Berichte der Bunsengesellschaft für physikalische Chemie ◽

10.1002/bbpc.19940980132 ◽

1994 ◽

Vol 98 (1) ◽

pp. 139-139

Author(s):

W. B. Person ◽

K. Szczepaniak

Keyword(s):

Vibrational Spectra ◽

Force Fields ◽

Pyrimidine Bases

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Analysis of the vibrational spectra, force fields, and molecular structures of pentacarbonyl(methyl)manganese(I) and pentacarbonyl(methyl)rhenium(I)

Journal of Organometallic Chemistry ◽

10.1016/s0022-328x(00)00512-x ◽

2000 ◽

Vol 616 (1-2) ◽

pp. 1-9 ◽

Cited By ~ 14

Author(s):

É Bencze ◽

J Mink ◽

I Pápai ◽

I.S Butler ◽

D Lafleur ◽

...

Keyword(s):

Vibrational Spectra ◽

Force Fields ◽

Molecular Structures

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Investigation of energy stability, geometric structure, force fields, and vibrational spectra of LiNaF2, LiMgF3, and LiAlF4 molecules by means of MO LCAO SCF method

Journal of Structural Chemistry ◽

10.1007/bf00773258 ◽

1986 ◽

Vol 26 (5) ◽

pp. 667-674

Author(s):

V. V. Sliznev ◽

V. G. Solomonik

Keyword(s):

Vibrational Spectra ◽

Geometric Structure ◽

Force Fields ◽

Energy Stability

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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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Vibrational spectra, structure, and force fields of perfluorinated cyclo- and bicycloalkanes

Journal of Molecular Structure ◽

10.1016/s0022-2860(96)09507-5 ◽

1997 ◽

Vol 410-411 ◽

pp. 463-466

Author(s):

V.M. Senyavin ◽

I.V. Kochikov ◽

G.M. Kuramshina

Keyword(s):

Vibrational Spectra ◽

Force Fields

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Vibrational spectra of indole and assignments on the basis of ab initio force fields

Journal of Raman Spectroscopy ◽

10.1002/jrs.1250230803 ◽

1992 ◽

Vol 23 (8) ◽

pp. 431-444 ◽

Cited By ~ 46

Author(s):

M. Majoube ◽

G. Vergoten

Keyword(s):

Ab Initio ◽

Vibrational Spectra ◽

Force Fields

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Vibrational spectra and force fields of the simplest amides

Journal of Structural Chemistry ◽

10.1007/bf00744594 ◽

1971 ◽

Vol 11 (6) ◽

pp. 981-987

Author(s):

E. M. Popov ◽

V. N. Zheltova ◽

G. A. Kogan

Keyword(s):

Vibrational Spectra ◽

Force Fields

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