Stretching force constants and derivatives of the dipole moment of the F-HNCH hydrogen-bonded complex. Preliminary results at the SCF level

Chemical Physics Letters ◽

10.1016/0009-2614(81)85375-4 ◽

1981 ◽

Vol 84 (1) ◽

pp. 91-93 ◽

Author(s):

Y. Bouteiller ◽

M. Allavena ◽

J.M. Leclercq

Keyword(s):

Dipole Moment ◽

Force Constants ◽

Preliminary Results ◽

Derivatives Of ◽

Hydrogen Bonded

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Force Constants and Dipole‐Moment Derivatives of Molecules from Perturbed Hartree–Fock Calculations. I

The Journal of Chemical Physics ◽

10.1063/1.1670299 ◽

1968 ◽

Vol 49 (4) ◽

pp. 1719-1729 ◽

Author(s):

J. Gerratt ◽

I. M. Mills

Keyword(s):

Dipole Moment ◽

Force Constants ◽

Hartree Fock ◽

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Force Constants and Dipole Moment Derivatives of Ammonia from Hartree‐Fock Calculations

The Journal of Chemical Physics ◽

10.1063/1.1678763 ◽

1972 ◽

Vol 57 (8) ◽

pp. 3337-3340 ◽

Author(s):

Péter Pulay ◽

Wilfried Meyer

Keyword(s):

Dipole Moment ◽

Force Constants ◽

Hartree Fock ◽

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Simultaneous Determination of Force Constants and Dipole Moment Derivatives of Methane

Journal of Molecular Spectroscopy ◽

10.1006/jmsp.1998.7575 ◽

1998 ◽

Vol 190 (2) ◽

pp. 198-212 ◽

Author(s):

A Mourbat ◽

A Aboumajd ◽

M Loëte

Keyword(s):

Dipole Moment ◽

Simultaneous Determination ◽

Force Constants ◽

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Force Constants and Dipole‐Moment Derivatives of Molecules from Perturbed Hartree–Fock Calculations. II. Applications to Limited Basis‐Set SCF–MO Wavefunctions

The Journal of Chemical Physics ◽

10.1063/1.1670300 ◽

1968 ◽

Vol 49 (4) ◽

pp. 1730-1739 ◽

Author(s):

J. Gerratt ◽

I. M. Mills

Keyword(s):

Dipole Moment ◽

Force Constants ◽

Basis Set ◽

Hartree Fock ◽

Limited Basis ◽

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Dipole Moment Derivatives of Free and Hydrogen Bonded O-H Bond of Methanol

Spectroscopy Letters ◽

10.1080/00387018108062571 ◽

1981 ◽

Vol 14 (2) ◽

pp. 141-155 ◽

Author(s):

S. Singh ◽

D. Schiöberg ◽

W. A. P. Luck

Keyword(s):

Dipole Moment ◽

Derivatives Of ◽

Hydrogen Bonded

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OCTAHEDRAL METAL CARBONYLS: XXVI Carbonyl Stretching Spectra and Force Constants for cis-Disubstituted Derivatives of the Group VI-B Metal Carbonyls

Journal of Coordination Chemistry ◽

10.1080/00958977208072946 ◽

1972 ◽

Vol 2 (1) ◽

pp. 47-52 ◽

Author(s):

Robert T. Jernigan ◽

Richard A. Brown ◽

Gerard R. Dobson

Keyword(s):

Force Constants ◽

Metal Carbonyls ◽

Group Vi ◽

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Near Hartree—Fock Calculations of the Force Constants and Dipole Moment Derivatives in Methane

The Journal of Chemical Physics ◽

10.1063/1.1677506 ◽

1972 ◽

Vol 56 (5) ◽

pp. 2109-2116 ◽

Author(s):

W. Meyer ◽

P. Pulay

Keyword(s):

Dipole Moment ◽

Force Constants ◽

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Theoretical dipole moment derivatives and force constants for HCN

The Journal of Chemical Physics ◽

10.1063/1.436755 ◽

1978 ◽

Vol 69 (4) ◽

pp. 1425-1428 ◽

Author(s):

B. Liu ◽

K. M. Sando ◽

C. S. North ◽

H. B. Friedrich ◽

D. M. Chipman

Keyword(s):

Dipole Moment ◽

Force Constants

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Charge‐transfer properties of hydrogen bonds. III. Charge‐transfer theory and the relation between the energy and the enhancement of dipole moment of hydrogen‐bonded complexes

The Journal of Chemical Physics ◽

10.1063/1.1679344 ◽

1973 ◽

Vol 58 (3) ◽

pp. 911-919 ◽

Author(s):

Henryk Ratajczak ◽

W. J. Orville‐Thomas

Keyword(s):

Dipole Moment ◽

Charge Transfer ◽

Hydrogen Bonds ◽

Transfer Theory ◽

Transfer Properties ◽

Bonded Complexes ◽

Hydrogen Bonded

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Effect of an electric field on a methane molecule. II. Calculation of the degeneracy splitting of the ν3 band. Expression of the second derivatives of the CH4 dipole moment and evaluation of the second derivative of the C–H bond polarizability

The Journal of Chemical Physics ◽

10.1063/1.449267 ◽

1985 ◽

Vol 83 (6) ◽

pp. 2653-2660 ◽

Author(s):

R. Kahn ◽

E. Cohen De Lara ◽

K. D. Möller

Keyword(s):

Dipole Moment ◽

Electric Field ◽

Methane Molecule ◽

Second Derivative ◽

Second Derivatives ◽

Bond Polarizability ◽

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