On the determination of the generalized force field from a two-parametric family of orbits on a given surface

Inverse Problems ◽

10.1088/0266-5611/21/1/018 ◽

2004 ◽

Vol 21 (1) ◽

pp. 291-303 ◽

Author(s):

Thomas A Kotoulas

Keyword(s):

Force Field ◽

Parametric Family ◽

Generalized Force

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Faculty Opinions recommendation of A reduced generalized force field for biological halogen bonds.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.740440609.793587108 ◽

2021 ◽

Author(s):

Alex MacKerell

Keyword(s):

Force Field ◽

Halogen Bonds ◽

Generalized Force

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Molecular Vibrations of Sulphur Trioxide. Accurate Determination of Harmonic Force Field, and Calculated Mean Amplitudes and Shrinkage Effect.

Acta Chemica Scandinavica ◽

10.3891/acta.chem.scand.21-1581 ◽

1967 ◽

Vol 21 ◽

pp. 1581-1586 ◽

Author(s):

R. Stølevik ◽

B. Andersen ◽

S. J. Cyvin ◽

J. Brunvoll ◽

G. Eriksson ◽

...

Keyword(s):

Force Field ◽

Accurate Determination ◽

Molecular Vibrations ◽

Harmonic Force ◽

Shrinkage Effect ◽

Sulphur Trioxide

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Development of a computer program for the determination of force field parameters derived from ab initio pes

10.1063/1.47857 ◽

1995 ◽

Author(s):

Ugo Cosentino ◽

Giorgio Moro ◽

Demetrio Pitea ◽

Mercedes Procopio ◽

Pier Carlo Fantucci

Keyword(s):

Computer Program ◽

Force Field ◽

Ab Initio ◽

Force Field Parameters

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The electron diffraction determination of anharmonic force field of CO2 for curvilinear internal coordinates

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(84)85026-5 ◽

1984 ◽

Vol 106 (3-4) ◽

pp. 225-231 ◽

Author(s):

A.G. Gershikov ◽

A.Ya. Nasarenko ◽

V.P. Spiridonov

Keyword(s):

Electron Diffraction ◽

Force Field ◽

Internal Coordinates ◽

Diffraction Determination ◽

Anharmonic Force

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A united-residue force field for off-lattice protein-structure simulations. II. Parameterization of short-range interactions and determination of weights of energy terms by Z-score optimization

Journal of Computational Chemistry ◽

10.1002/(sici)1096-987x(199705)18:7<874::aid-jcc2>3.0.co;2-o ◽

1997 ◽

Vol 18 (7) ◽

pp. 874-887 ◽

Author(s):

A. Liwo ◽

M. R. Pincus ◽

R. J. Wawak ◽

S. Rackovsky ◽

S. O?dziej ◽

...

Keyword(s):

Protein Structure ◽

Force Field ◽

Short Range ◽

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Determination of best-fit potential parameters for a reactive force field using a genetic algorithm

Journal of Molecular Modeling ◽

10.1007/s00894-011-1124-2 ◽

2011 ◽

Vol 18 (3) ◽

pp. 1049-1061 ◽

Author(s):

Poonam Pahari ◽

Shashank Chaturvedi

Keyword(s):

Genetic Algorithm ◽

Force Field ◽

Reactive Force ◽

Reactive Force Field ◽

Potential Parameters ◽

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Extension of a regularizing algorithm for the determination of equilibrium geometry and force field of free molecules from joint use of electron diffraction, molecular spectroscopy and ab initio data on systems with large-amplitude oscillatory motion

Journal of Molecular Structure ◽

10.1016/s0022-2860(99)00185-4 ◽

1999 ◽

Vol 485-486 ◽

pp. 421-443 ◽

Author(s):

I.V. Kochikov ◽

Yu.I. Tarasov ◽

V.P. Spiridonov ◽

G.M. Kuramshina ◽

A.G. Yagola ◽

...

Keyword(s):

Electron Diffraction ◽

Force Field ◽

Ab Initio ◽

Large Amplitude ◽

Molecular Spectroscopy ◽

Oscillatory Motion ◽

Equilibrium Geometry ◽

Regularizing Algorithm ◽

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Regularizing algorithm for determination of equilibrium geometry and harmonic force field of free molecules from joint use of electron diffraction, vibrational spectroscopy and ab initio data with application to benzene

Journal of Molecular Structure ◽

10.1016/s0022-2860(97)00428-6 ◽

1998 ◽

Vol 445 (1-3) ◽

pp. 243-258 ◽

Author(s):

I.V. Kochikov ◽

Yu.I. Tarasov ◽

G.M. Kuramshina ◽

V.P. Spiridonov ◽

A.G. Yagola ◽

...

Keyword(s):

Electron Diffraction ◽

Force Field ◽

Ab Initio ◽

Vibrational Spectroscopy ◽

Equilibrium Geometry ◽

Harmonic Force ◽

Regularizing Algorithm ◽

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Determination of molecular symmetries by force field calculations and evaluation of symmetric and nonsymmetric conformational transition states avoiding complete point-by-point mapping

Tetrahedron ◽

10.1016/0040-4020(75)87040-2 ◽

1975 ◽

Vol 31 (16) ◽

pp. 1849-1854 ◽

Author(s):

O. Ermer

Keyword(s):

Force Field ◽

Conformational Transition ◽

Transition States ◽

Force Field Calculations ◽

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Determination of a silane intermolecular force field potential model from anab initiocalculation

Physical Review A ◽

10.1103/physreva.82.062520 ◽

2010 ◽

Vol 82 (6) ◽

Author(s):

Arvin Huang-Te Li ◽

Sheng D. Chao ◽

Chien-Cheng Chang

Keyword(s):

Force Field ◽

Potential Model ◽

Field Potential ◽

Intermolecular Force

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