The experimental design for computing the harmonic and anharmonic force constant matrices of polyatomic molecules

Michel Sana

doi:10.1007/bf00549610

The experimental design for computing the harmonic and anharmonic force constant matrices of polyatomic molecules

Theoretica Chimica Acta ◽

10.1007/bf00549610 ◽

1982 ◽

Vol 60 (6) ◽

pp. 543-559 ◽

Cited By ~ 6

Author(s):

Michel Sana

Keyword(s):

Experimental Design ◽

Force Constant ◽

Polyatomic Molecules ◽

Anharmonic Force

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Determination of the anharmonic force constant Ksδδ of the amino group of trifluoroethylamine in 1:1 complexes with bases

Spectrochimica Acta Part A Molecular Spectroscopy ◽

10.1016/0584-8539(84)80124-5 ◽

1984 ◽

Vol 40 (7) ◽

pp. 687-689 ◽

Cited By ~ 2

Author(s):

Jose Fernandez Bertran ◽

Boris la Serna Torres

Keyword(s):

Force Constant ◽

Amino Group ◽

Anharmonic Force

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Analytical torisionL-tensor formulas for anharmonic force constant transformation

Zeitschrift für Physik D ◽

10.1007/bf01436542 ◽

1993 ◽

Vol 27 (3) ◽

pp. 263-266 ◽

Cited By ~ 1

Author(s):

T. A. Beu

Keyword(s):

Force Constant ◽

Anharmonic Force

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Anharmonic force constant calculations

Molecular Physics ◽

10.1080/00268977200102361 ◽

1972 ◽

Vol 24 (6) ◽

pp. 1265-1290 ◽

Cited By ~ 847

Author(s):

A.R. Hoy ◽

I.M. Mills ◽

G. Strey

Keyword(s):

Force Constant ◽

Anharmonic Force

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The anharmonic force constant K234 of CH3CN in different phases, solvents and complexes with Lewis acids

Spectrochimica Acta Part A Molecular Spectroscopy ◽

10.1016/0584-8539(86)80002-2 ◽

1986 ◽

Vol 42 (9) ◽

pp. 955-958 ◽

Cited By ~ 4

Author(s):

José Fernández Bertrán ◽

Boris La Serna

Keyword(s):

Force Constant ◽

Lewis Acids ◽

Anharmonic Force

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Geometry and force constant determination from correlated wave functions for polyatomic molecules: Ground states of H2O and CH2

Theoretica Chimica Acta ◽

10.1007/bf00526567 ◽

1972 ◽

Vol 25 (4) ◽

pp. 352-359 ◽

Cited By ~ 28

Author(s):

Donald R. McLaughlin ◽

Charles F. Bender ◽

Henry F. Schaefer

Keyword(s):

Force Constant ◽

Ground States ◽

Polyatomic Molecules ◽

Wave Functions ◽

Constant Determination

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Anharmonic force constants of polyatomic molecules. Test of the procedure for deducing a force field from the vibration-rotation spectrum

Journal of the American Chemical Society ◽

10.1021/ja00425a001 ◽

1976 ◽

Vol 98 (9) ◽

pp. 2373-2379 ◽

Cited By ~ 32

Author(s):

Donald G. Truhlar ◽

Radley W. Olson ◽

Anthony C. Jeannotte ◽

John Overend

Keyword(s):

Force Field ◽

Polyatomic Molecules ◽

Force Constants ◽

Vibration Rotation ◽

Rotation Spectrum ◽

Anharmonic Force

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Application of the Monte Carlo method to anharmonic force constant calculations

Journal of Molecular Spectroscopy ◽

10.1016/0022-2852(75)90207-6 ◽

1975 ◽

Vol 56 (1) ◽

pp. 104-123 ◽

Cited By ~ 19

Author(s):

G.K. Speirs ◽

V. Špirko

Keyword(s):

Monte Carlo ◽

Monte Carlo Method ◽

Force Constant ◽

The Monte Carlo Method ◽

Anharmonic Force

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The application of the Monte Carlo method to anharmonic force constant calculations

Journal of Molecular Spectroscopy ◽

10.1016/0022-2852(75)90260-x ◽

1975 ◽

Vol 55 (1-3) ◽

pp. 151-162 ◽

Cited By ~ 8

Author(s):

V. Špirko ◽

G.K. Speirs

Keyword(s):

Monte Carlo ◽

Monte Carlo Method ◽

Force Constant ◽

The Monte Carlo Method ◽

Anharmonic Force

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Intrinsic localized modes in the one-dimensional zinc-blende structure: two-body potential versus anharmonic force constant model

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/12/26/310 ◽

2000 ◽

Vol 12 (26) ◽

pp. 5629-5637 ◽

Cited By ~ 6

Author(s):

A Franchini ◽

V Bortolani ◽

R F Wallis

Keyword(s):

Force Constant ◽

Potential Versus ◽

Localized Modes ◽

Intrinsic Localized Modes ◽

One Dimensional ◽

Zinc Blende ◽

The One ◽

Body Potential ◽

Zinc Blende Structure ◽

Anharmonic Force

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Substituent effect on the anharmonic force constant Ksδδ of the amino group in p-X anilines

Spectrochimica Acta Part A Molecular Spectroscopy ◽

10.1016/0584-8539(84)80169-5 ◽

1984 ◽

Vol 40 (9) ◽

pp. 789-791 ◽

Cited By ~ 1

Author(s):

Boris La Serna ◽

María D. Díaz ◽

José Fernández Bertrán

Keyword(s):

Force Constant ◽

Substituent Effect ◽

Amino Group ◽

Anharmonic Force

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