Vibrational spectra of methylstannane: a molecular force field and dipole moment derivatives from ab initio second-order Moeller-Plesset calculations

The Journal of Physical Chemistry ◽

10.1021/j100312a010 ◽

1988 ◽

Vol 92 (1) ◽

pp. 28-33 ◽

Author(s):

C. Pouchan ◽

G. Lespes ◽

A. Dargelos

Keyword(s):

Dipole Moment ◽

Force Field ◽

Ab Initio ◽

Vibrational Spectra ◽

Second Order ◽

Molecular Force ◽

Molecular Force Field

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Syn—gauche equilibrium of methyl vinyl sulphide studied by the combined use of microwave and raman spectroscopy, electron diffraction, and molecular force field and ab initio calculations

Journal of Molecular Structure ◽

10.1016/0022-2860(79)80236-7 ◽

1979 ◽

Vol 57 ◽

pp. 105-121 ◽

Author(s):

S. Samdal ◽

H.M. Seip ◽

T. Torgrimsen

Keyword(s):

Raman Spectroscopy ◽

Electron Diffraction ◽

Force Field ◽

Ab Initio Calculations ◽

Ab Initio ◽

Methyl Vinyl ◽

Molecular Force ◽

Combined Use ◽

Molecular Force Field

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Conformational Study of Acyclic Alcohols by NMR Spectroscopic Analysis, Molecular Force Field and Ab Initio Calculations

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.59.3125 ◽

1986 ◽

Vol 59 (10) ◽

pp. 3125-3130 ◽

Author(s):

Kazuhisa Abe ◽

Kohichi Ito ◽

Hiroko Suezawa ◽

Minoru Hirota ◽

Motohiro Nishio

Keyword(s):

Force Field ◽

Ab Initio Calculations ◽

Ab Initio ◽

Spectroscopic Analysis ◽

Conformational Study ◽

Molecular Force ◽

Molecular Force Field

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Chapter 11. Joint treatment of ab initio and experimental data in molecular force field calculations with Tikhonov's method of regularization

Inverse Problems of Vibrational Spectroscopy ◽

10.1515/9783110943269.259 ◽

2014 ◽

Keyword(s):

Experimental Data ◽

Force Field ◽

Ab Initio ◽

Force Field Calculations ◽

Molecular Force ◽

Method Of Regularization ◽

Molecular Force Field ◽

Joint Treatment

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Constraints on the values of force constants for molecular force field models based on ab initio calculations

Journal of Molecular Structure ◽

10.1016/s0022-2860(96)09506-3 ◽

1997 ◽

Vol 410-411 ◽

pp. 457-461 ◽

Author(s):

G.M. Kuramshina ◽

F. Weinhold

Keyword(s):

Force Field ◽

Ab Initio Calculations ◽

Ab Initio ◽

Force Constants ◽

Molecular Force ◽

Molecular Force Field

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ChemInform Abstract: INFRARED INTENSITIES: CYCLOHEXANE. A MOLECULAR FORCE FIELD AND DIPOLE MOMENT DERIVATIVES

Chemischer Informationsdienst ◽

10.1002/chin.198549037 ◽

1985 ◽

Vol 16 (49) ◽

Author(s):

K. B. WIBERG ◽

V. A. WALTERS ◽

W. P. DAILEY

Keyword(s):

Dipole Moment ◽

Force Field ◽

Molecular Force ◽

Infrared Intensities ◽

Molecular Force Field

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Further Investigations on the Microwave Spectrum of NSF: Evaluation of the Molecular Force Field, Centrifugal Distortion Constants, and the Dipole Moment

The Journal of Chemical Physics ◽

10.1063/1.1701662 ◽

1967 ◽

Vol 47 (11) ◽

pp. 4521-4527 ◽

Author(s):

Robert L. Cook ◽

William H. Kirchhoff

Keyword(s):

Dipole Moment ◽

Force Field ◽

Microwave Spectrum ◽

Centrifugal Distortion ◽

Molecular Force ◽

Molecular Force Field ◽

Centrifugal Distortion Constants

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Vibrational spectra (matrix and vapour phase) and molecular force field of OVCl3

Spectrochimica Acta Part A Molecular Spectroscopy ◽

10.1016/0584-8539(82)80046-9 ◽

1982 ◽

Vol 38 (9) ◽

pp. 965-969 ◽

Author(s):

R.R. Filgueira ◽

L.L. Fournier ◽

E.L. Varetti

Keyword(s):

Force Field ◽

Vibrational Spectra ◽

Vapour Phase ◽

Molecular Force ◽

Molecular Force Field

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Vibrational spectra and molecular force field of N-methylpyridinium ion and some deuterated derivatives

Spectrochimica Acta Part A Molecular Spectroscopy ◽

10.1016/0584-8539(90)80250-3 ◽

1990 ◽

Vol 46 (12) ◽

pp. 1779-1791 ◽

Author(s):

Abdullah Y. Obaid ◽

Mamdouh S. Soliman

Keyword(s):

Force Field ◽

Vibrational Spectra ◽

Molecular Force ◽

Molecular Force Field

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Joint treatment of ab initio and experimental data in molecular force field calculations with Tikhonov’s method of regularization

The Journal of Chemical Physics ◽

10.1063/1.466619 ◽

1994 ◽

Vol 100 (2) ◽

pp. 1414-1424 ◽

Author(s):

G. M. Kuramshina ◽

F. Weinhold ◽

I. V. Kochikov ◽

A. G. Yagola ◽

Yu. A. Pentin

Keyword(s):

Experimental Data ◽

Force Field ◽

Ab Initio ◽

Force Field Calculations ◽

Molecular Force ◽

Method Of Regularization ◽

Molecular Force Field ◽

Joint Treatment

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Ab initio calculations of molecular and electronic structure of disilane. I. Molecular force field and vibrational spectrum

Chemical Physics ◽

10.1016/0301-0104(91)90030-w ◽

1991 ◽

Vol 149 (3) ◽

pp. 311-318 ◽

Author(s):

Antonio Márquez ◽

Javier Fernández Sanz ◽

Michel Gelizé ◽

Alain Dargelos

Keyword(s):

Electronic Structure ◽

Vibrational Spectrum ◽

Force Field ◽

Ab Initio Calculations ◽

Ab Initio ◽

Molecular Force ◽

Molecular Force Field ◽

Molecular And Electronic Structure

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