quadratic force field Latest Research Papers

The Jahn–Teller effect in the presence of partial isotopic substitution: the B̃1E′′ state of NH2D and NHD2

Physical Chemistry Chemical Physics ◽

10.1039/c5cp01299f ◽

2015 ◽

Vol 17 (21) ◽

pp. 14145-14158 ◽

Cited By ~ 1

Author(s):

Ashim Kumar Saha ◽

Gautam Sarma ◽

Chung-Hsin Yang ◽

Sebastiaan Y. T. van de Meerakker ◽

David H. Parker ◽

...

Keyword(s):

Force Field ◽

Field Model ◽

Electronic States ◽

Teller Effect ◽

Isotopic Substitution ◽

Quadratic Force Field ◽

Jahn Teller ◽

Jahn Teller Effect

A simple linear and quadratic force field model for the lifting of the degeneracy on asymmetric isotopic substitution in degenerate electronic states subject to a weak Jahn–Teller effect.

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Interpreting the vibrational spectra of uracil molecules and their deuterated isotopomers using a scaled quantum-chemical quadratic force field

Russian Journal of Physical Chemistry A ◽

10.1134/s0036024412120102 ◽

2012 ◽

Vol 86 (12) ◽

pp. 1855-1861 ◽

Cited By ~ 3

Author(s):

L. S. Khaikin ◽

O. E. Grikina ◽

N. Vogt ◽

N. F. Stepanov

Keyword(s):

Force Field ◽

Vibrational Spectra ◽

Quantum Chemical ◽

Quadratic Force Field

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ChemInform Abstract: Bond Lengths and Quadratic Force Field for Cubane.

ChemInform ◽

10.1002/chin.199122045 ◽

2010 ◽

Vol 22 (22) ◽

pp. no-no

Author(s):

L. HEDBERG ◽

K. HEDBERG ◽

P. E. EATON ◽

N. NODARI ◽

A. G. ROBIETTE

Keyword(s):

Force Field ◽

Bond Lengths ◽

Quadratic Force Field

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ChemInform Abstract: Conformational Analysis. Part 19. 1,2-Dichlorotetrafluoroethane. Molecular Structure, Composition, Anti-Gauche Energy and Entropy Differences, and Quadratic Force Field: An Electron-Diffraction and ab initio Study.

ChemInform ◽

10.1002/chin.199303059 ◽

2010 ◽

Vol 24 (3) ◽

pp. no-no

Author(s):

H. THOMASSEN ◽

K. HEDBERG

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Conformational Analysis ◽

Force Field ◽

Ab Initio ◽

Ab Initio Study ◽

Quadratic Force Field

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Torsional Angle Definitions and Linear and Quadratic Force Field Variations along the Torsional Coordinate for CH3OH and CH3CHO

Journal of Molecular Spectroscopy ◽

10.1006/jmsp.2002.8573 ◽

2002 ◽

Vol 214 (2) ◽

pp. 175-187 ◽

Cited By ~ 14

Author(s):

Li-Hong Xu ◽

Jon T. Hougen ◽

Ronald M. Lees ◽

Mirza A. Mekhtiev

Keyword(s):

Force Field ◽

Torsional Angle ◽

Quadratic Force Field

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The gas-phase molecular structure and quadratic force field of bis(dimethylamino)hydroborane, [(CH 3 ) 2 N] 2 BH, determined by electron diffraction and MO-calculations

Journal of Molecular Structure ◽

10.1016/s0022-2860(01)00558-0 ◽

2001 ◽

Vol 567-568 ◽

pp. 247-268 ◽

Cited By ~ 4

Author(s):

Kari-Anne Østby ◽

Torgny Fjeldberg ◽

Grete Gundersen

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Force Field ◽

Gas Phase ◽

Mo Calculations ◽

Quadratic Force Field

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The molecular structure and quadratic force field of tetramethylbutatriene (2,5-dimethyl-2,3,4-hexatriene) studied by gas-phase electron diffraction and ab initio MO calculations, and adjunct ab initio studies of butatriene

Journal of Molecular Structure ◽

10.1016/0022-2860(94)09018-k ◽

1995 ◽

Vol 346 ◽

pp. 153-172 ◽

Cited By ~ 1

Author(s):

Grete Gundersen ◽

Hanne G. Thomassen ◽

J.Erik Anensen

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Force Field ◽

Ab Initio ◽

Gas Phase ◽

Mo Calculations ◽

Ab Initio Mo Calculations ◽

Quadratic Force Field ◽

Ab Initio Mo ◽

Gas Phase Electron Diffraction

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Conformational analysis. 19. 1,2-Dichlorotetrafluoroethane: molecular structure, composition, anti-gauche energy and entropy differences, and quadratic force field: An electron-diffraction and ab initio study

The Journal of Physical Chemistry ◽

10.1021/j100199a031 ◽

1992 ◽

Vol 96 (20) ◽

pp. 7983-7988 ◽

Cited By ~ 6

Author(s):

Hanne Thomassen ◽

Kenneth Hedberg

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Conformational Analysis ◽

Force Field ◽

Ab Initio ◽

Ab Initio Study ◽

Quadratic Force Field

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Bond lengths and quadratic force field for cubane

Journal of the American Chemical Society ◽

10.1021/ja00005a007 ◽

1991 ◽

Vol 113 (5) ◽

pp. 1514-1517 ◽

Cited By ~ 41

Author(s):

Lise Hedberg ◽

Kenneth Hedberg ◽

Philip E. Eaton ◽

Nereo Nodari ◽

Alan G. Robiette

Keyword(s):

Force Field ◽

Bond Lengths ◽

Quadratic Force Field

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ChemInform Abstract: 1,2-Dichlorotetrafluorocyclobutene: Gas-Phase Molecular Structure and Quadratic Force Field from an Electron-Diffraction and ab initio Study.

ChemInform ◽

10.1002/chin.199039052 ◽

1990 ◽

Vol 21 (39) ◽

Author(s):

H. THOMASSEN ◽

K. HEDBERG

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Force Field ◽

Ab Initio ◽

Gas Phase ◽

Ab Initio Study ◽

Quadratic Force Field

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quadratic force field
Recently Published Documents

TOTAL DOCUMENTS

H-INDEX

The Jahn–Teller effect in the presence of partial isotopic substitution: the B̃1E′′ state of NH2D and NHD2

Interpreting the vibrational spectra of uracil molecules and their deuterated isotopomers using a scaled quantum-chemical quadratic force field

ChemInform Abstract: Bond Lengths and Quadratic Force Field for Cubane.

ChemInform Abstract: Conformational Analysis. Part 19. 1,2-Dichlorotetrafluoroethane. Molecular Structure, Composition, Anti-Gauche Energy and Entropy Differences, and Quadratic Force Field: An Electron-Diffraction and ab initio Study.

Torsional Angle Definitions and Linear and Quadratic Force Field Variations along the Torsional Coordinate for CH3OH and CH3CHO

The gas-phase molecular structure and quadratic force field of bis(dimethylamino)hydroborane, [(CH 3 ) 2 N] 2 BH, determined by electron diffraction and MO-calculations

The molecular structure and quadratic force field of tetramethylbutatriene (2,5-dimethyl-2,3,4-hexatriene) studied by gas-phase electron diffraction and ab initio MO calculations, and adjunct ab initio studies of butatriene

Conformational analysis. 19. 1,2-Dichlorotetrafluoroethane: molecular structure, composition, anti-gauche energy and entropy differences, and quadratic force field: An electron-diffraction and ab initio study

Bond lengths and quadratic force field for cubane

ChemInform Abstract: 1,2-Dichlorotetrafluorocyclobutene: Gas-Phase Molecular Structure and Quadratic Force Field from an Electron-Diffraction and ab initio Study.

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quadratic force fieldRecently Published Documents

TOTAL DOCUMENTS

H-INDEX

The Jahn–Teller effect in the presence of partial isotopic substitution: the B̃1E′′ state of NH2D and NHD2

Interpreting the vibrational spectra of uracil molecules and their deuterated isotopomers using a scaled quantum-chemical quadratic force field

ChemInform Abstract: Bond Lengths and Quadratic Force Field for Cubane.

ChemInform Abstract: Conformational Analysis. Part 19. 1,2-Dichlorotetrafluoroethane. Molecular Structure, Composition, Anti-Gauche Energy and Entropy Differences, and Quadratic Force Field: An Electron-Diffraction and ab initio Study.

Torsional Angle Definitions and Linear and Quadratic Force Field Variations along the Torsional Coordinate for CH3OH and CH3CHO

The gas-phase molecular structure and quadratic force field of bis(dimethylamino)hydroborane, [(CH 3 ) 2 N] 2 BH, determined by electron diffraction and MO-calculations

The molecular structure and quadratic force field of tetramethylbutatriene (2,5-dimethyl-2,3,4-hexatriene) studied by gas-phase electron diffraction and ab initio MO calculations, and adjunct ab initio studies of butatriene

Conformational analysis. 19. 1,2-Dichlorotetrafluoroethane: molecular structure, composition, anti-gauche energy and entropy differences, and quadratic force field: An electron-diffraction and ab initio study

Bond lengths and quadratic force field for cubane

ChemInform Abstract: 1,2-Dichlorotetrafluorocyclobutene: Gas-Phase Molecular Structure and Quadratic Force Field from an Electron-Diffraction and ab initio Study.

quadratic force field
Recently Published Documents