Ab initio valence force field calculations for quartz

Valence Force ◽

Rotational isomerism, structure and vibrational assignment of methoxyallene: joint IR and Raman investigation and non-empirical MO-SCF and valence force field calculations

10.1016/0022-2860(89)85007-0 ◽

1989 ◽

Vol 196 ◽

pp. 79-99 ◽

Cited By ~ 6

Author(s):

Augusto Rastelli ◽

Enzo Gallinella ◽

Marina Burdisso

Keyword(s):

Force Field ◽

Rotational Isomerism ◽

Vibrational Assignment ◽

Valence Force ◽

Valence Force Field ◽

Ir And Raman

Evidence for twisted norbornanes. X-ray diffraction and valence force-field calculations

Journal of the American Chemical Society ◽

10.1021/ja00710a036 ◽

1970 ◽

Vol 92 (7) ◽

pp. 1995-1999 ◽

Cited By ~ 51

Author(s):

C. Altona ◽

Muttaiya. Sundaralingam

Keyword(s):

Force Field ◽

X Ray Diffraction ◽

Valence Force ◽

X Ray ◽

Structure of gaseous methyl acetate as determined by joint analysis of electron diffraction, microwave and infrared spectroscopy, supplemented by a valence force field and constraints from geometry relaxed ab initio calculations

10.1016/0022-2860(86)85005-0 ◽

1986 ◽

Vol 144 (3-4) ◽

pp. 265-279 ◽

Cited By ~ 43

Author(s):

W. Pyckhout ◽

C. Van Alsenoy ◽

H.J. Geise

Keyword(s):

Infrared Spectroscopy ◽

Electron Diffraction ◽

Force Field ◽

Ab Initio Calculations ◽

Ab Initio ◽

Methyl Acetate ◽

Joint Analysis ◽

Valence Force ◽

Valence force field calculations of trans-stilbene and some of its symmetrically deuterated isotopomers

10.1016/0022-2860(86)80351-9 ◽

1986 ◽

Vol 141 ◽

pp. 375-380 ◽

Cited By ~ 11

Author(s):

Z. Meić ◽

G. Baranović ◽

D. Škare

Keyword(s):

Force Field ◽

Valence Force ◽

Valence Force Field ◽

Trans Stilbene

Ab initio generalized valence force field for zeolite modelling 2. Aluminosilicates

Chemical Physics ◽

10.1016/0301-0104(96)00124-3 ◽

1996 ◽

Vol 209 (1) ◽

pp. 41-51 ◽

Cited By ~ 26

Author(s):

Vladimir A.Ermoshin ◽

Konstantin S. Smirnov ◽

Daniel Bougeard

Keyword(s):

Force Field ◽

Ab Initio ◽

Valence Force ◽

Vibrational Assignments of Acetyliodide and Deuterated Species, Based on Infrared Gas Spectra and Valence Force Field Calculations.

Acta Chemica Scandinavica ◽

10.3891/acta.chem.scand.38a-0453 ◽

1984 ◽

Vol 38a ◽

pp. 453-466 ◽

Cited By ~ 1

Author(s):

Flemming M. Nicolaisen ◽

J. Stokkebro Hansen ◽

Staffan Castensson ◽

Masunobu Maeda ◽

Hitoshi Ohtaki

Keyword(s):

Force Field ◽

Valence Force ◽

Vibrational Assignments ◽

Ab initio generalized valence force field for zeolite modelling. 1. Siliceous zeolites

Chemical Physics ◽

10.1016/0301-0104(95)00313-4 ◽

1996 ◽

Vol 202 (1) ◽

pp. 53-61 ◽

Cited By ~ 37

Author(s):

Vladimir A. Ermoshin ◽

Konstantin S. Smirnov ◽

Daniel Bougeard

Keyword(s):

Force Field ◽

Ab Initio ◽

Valence Force ◽

Vibrational spectra of styrene and its seven deuterated vinylic isotopomers: Complete assignment of the spectra by valence force field calculations

Spectrochimica Acta Part A Molecular Spectroscopy ◽

10.1016/0584-8539(80)80173-5 ◽

1980 ◽

Vol 36 (11) ◽

pp. 941-956 ◽

Cited By ~ 24

Author(s):

Annette Marchand ◽

Jean-Paul Quintard

Keyword(s):

Force Field ◽

Vibrational Spectra ◽

Valence Force ◽

Valence Force Field ◽

Complete Assignment

Vibrational Investigations of Polyoxometalates - 5 - Valence Force Field Calculations of 1-Metalo-5-tungstates NbVW5 VIO19 3- AND MoVIW 5 VIO19 2- : Influence of the Oxidation State of the Metal Atoms

Spectroscopy Letters ◽

10.1080/00387018608069284 ◽

1986 ◽

Vol 19 (7) ◽

pp. 765-781 ◽

Cited By ~ 6

Author(s):

C. Rocchiccioli-deltcheff ◽

M. Fournier ◽

R. Franck ◽

R. Thouvenot

Keyword(s):

Force Field ◽

Oxidation State ◽

Valence Force ◽

Valence Force Field ◽

Metal Atoms

IR induced conversion of rotamers, matrix spectra, AB initio calculation of conformers, assignment and valence force field of trans glycolic acid

10.1016/0022-2860(86)80300-3 ◽

1986 ◽

Vol 146 ◽

pp. 289-307 ◽

Cited By ~ 35

Author(s):

H. Hollenstein ◽

T.-K. Ha ◽

H.H. Günthard

Keyword(s):

Force Field ◽

Ab Initio ◽

Ab Initio Calculation ◽

Glycolic Acid ◽

Valence Force ◽