Dissociation of Polyatomic Molecules and the Relation of Ensuing Geometrical Change to the Force Constants

Katsunosuke Machida; John Overend

doi:10.1063/1.1670916

Dissociation of Polyatomic Molecules and the Relation of Ensuing Geometrical Change to the Force Constants

The Journal of Chemical Physics ◽

10.1063/1.1670916 ◽

1969 ◽

Vol 50 (10) ◽

pp. 4437-4444 ◽

Cited By ~ 28

Author(s):

Katsunosuke Machida ◽

John Overend

Keyword(s):

Polyatomic Molecules ◽

Force Constants ◽

Geometrical Change

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Perspective on “Ab initio calculation of force constants and equilibrium geometries in polyatomic molecules. I. Theory”

Theoretical Chemistry Accounts ◽

10.1007/978-3-662-10421-7_39 ◽

2000 ◽

pp. 294-296

Author(s):

H. Bernhard Schlegel

Keyword(s):

Ab Initio ◽

Ab Initio Calculation ◽

Polyatomic Molecules ◽

Force Constants ◽

Equilibrium Geometries

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Correlation between ionization potentials, stretching force constants and internuclear distances in polyatomic molecules

Journal of Molecular Structure ◽

10.1016/0022-2860(85)80203-9 ◽

1985 ◽

Vol 129 (1-2) ◽

pp. 169-173 ◽

Cited By ~ 1

Author(s):

F.T. Chau ◽

C.A. McDowell

Keyword(s):

Polyatomic Molecules ◽

Force Constants ◽

Ionization Potentials ◽

Internuclear Distances

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Perspective on “Ab initio calculation of force constants and equilibrium geometries in polyatomic molecules. I. Theory”

Theoretical Chemistry Accounts ◽

10.1007/s002149900024 ◽

2000 ◽

Vol 103 (3) ◽

pp. 0294-0296 ◽

Cited By ~ 3

Author(s):

H. Bernhard Schlegel

Keyword(s):

Ab Initio ◽

Ab Initio Calculation ◽

Polyatomic Molecules ◽

Force Constants ◽

Equilibrium Geometries

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Correlations of bending mode force constants among polyatomic molecules

The Journal of Physical Chemistry ◽

10.1021/j100233a011 ◽

1983 ◽

Vol 87 (10) ◽

pp. 1694-1696 ◽

Cited By ~ 5

Author(s):

Chin An Chang

Keyword(s):

Polyatomic Molecules ◽

Force Constants ◽

Bending Mode

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Perspective on "Ab initio calculation of force constants and equilibrium geometries in polyatomic molecules. I. Theory"

Theoretical Chemistry Accounts ◽

10.1007/s002140050040 ◽

2000 ◽

Vol 103 (3-4) ◽

pp. 294-296

Author(s):

H. Bernhard Schlegel

Keyword(s):

Ab Initio ◽

Ab Initio Calculation ◽

Polyatomic Molecules ◽

Force Constants ◽

Equilibrium Geometries

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Relaxation of electron charge distributions and force constants in polyatomic molecules

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(94)80011-1 ◽

1994 ◽

Vol 304 (1) ◽

pp. 85-92

Author(s):

L.A. Gribov ◽

I.V. Maslov ◽

A.W. Niukkanen

Keyword(s):

Polyatomic Molecules ◽

Force Constants ◽

Electron Charge ◽

Charge Distributions

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A General Solution for the Force Constants of Polyatomic Molecules

Nature ◽

10.1038/162607b0 ◽

1948 ◽

Vol 162 (4120) ◽

pp. 607-607

Keyword(s):

General Solution ◽

Polyatomic Molecules ◽

Force Constants

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Ab initiocalculation of force constants and equilibrium geometries in polyatomic molecules. I. Theory

Molecular Physics ◽

10.1080/00268970110088884 ◽

2002 ◽

Vol 100 (1) ◽

pp. 57-62 ◽

Cited By ~ 5

Author(s):

P. PULAY

Keyword(s):

Polyatomic Molecules ◽

Force Constants ◽

Equilibrium Geometries

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A General Solution for the Force Constants of Polyatomic Molecules

Nature ◽

10.1038/162370a0 ◽

1948 ◽

Vol 162 (4114) ◽

pp. 370-370 ◽

Cited By ~ 7

Author(s):

P. TORKINGTON

Keyword(s):

General Solution ◽

Polyatomic Molecules ◽

Force Constants

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Ab initiocalculation of force constants and equilibrium geometries in polyatomic molecules

Molecular Physics ◽

10.1080/00268977000100541 ◽

1970 ◽

Vol 18 (4) ◽

pp. 473-480 ◽

Cited By ~ 183

Author(s):

P. Pulay

Keyword(s):

Polyatomic Molecules ◽

Force Constants ◽

Equilibrium Geometries

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