Guidelines for Publication of Research Results from Force-Field Calculations

IUPAC Standards Online ◽

10.1515/iupac.70.0182 ◽

2016 ◽

Author(s):

Douglas J. Raber ◽

Wayne C. Guida

Keyword(s):

Force Field ◽

Force Field Calculations ◽

Research Results

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Guidelines for publication of research results from force-field calculations(Technical Report)

Pure and Applied Chemistry ◽

10.1351/pac199870102047 ◽

1998 ◽

Vol 70 (10) ◽

pp. 2047-2049

Author(s):

D. J. Raber ◽

W. C. Guida

Keyword(s):

Force Field ◽

Force Field Calculations ◽

Research Results ◽

Technical Report

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Guidelines for publication of research results from force-field calculations

Journal of Computational Chemistry ◽

10.1002/(sici)1096-987x(19991115)20:14<1591::aid-jcc13>3.0.co;2-c ◽

1999 ◽

Vol 20 (14) ◽

pp. 1591-1592

Author(s):

Douglas J. Raber ◽

Wayne C. Guida

Keyword(s):

Force Field ◽

Force Field Calculations ◽

Research Results

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Conformational Analysis of Vitamin D: NMR and Force Field Calculations

Vitamin D - Biochemical, Chemical and Clinical Aspects Related to Calcium Metabolism ◽

10.1515/9783112327203-012 ◽

1977 ◽

pp. 71-84

Keyword(s):

Vitamin D ◽

Conformational Analysis ◽

Force Field ◽

Force Field Calculations

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Conformation of non-aromatic ring compounds - 89 The conformation of 3-(2,6-dichlorophenyl)glutaric anhydride studied by dynamic proton magnetic resonance and empirical force field calculations

Recueil des Travaux Chimiques des Pays-Bas ◽

10.1002/recl.19740931202 ◽

2010 ◽

Vol 93 (12) ◽

pp. 307-311 ◽

Author(s):

F. J. Koer ◽

D. H. Faber ◽

C. Altona

Keyword(s):

Magnetic Resonance ◽

Force Field ◽

Aromatic Ring ◽

Proton Magnetic Resonance ◽

Force Field Calculations ◽

Glutaric Anhydride ◽

Ring Compounds ◽

Empirical Force Field ◽

Empirical Force Field Calculations

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ChemInform Abstract: EMPIRICAL FORCE FIELD CALCULATIONS FOR BRIDGED ANNULENES

Chemischer Informationsdienst ◽

10.1002/chin.198129078 ◽

1981 ◽

Vol 12 (29) ◽

Author(s):

G. FAVINI ◽

M. SIMONETTA ◽

M. SOTTOCORNOLA ◽

R. TODESCHINI

Keyword(s):

Force Field ◽

Force Field Calculations ◽

Empirical Force Field ◽

Empirical Force Field Calculations

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The molecular structure of S-triazine in the gas phase determined from electron diffraction, infrared/raman data and ab initio force field calculations

Journal of Molecular Structure ◽

10.1016/0022-2860(86)80386-6 ◽

1986 ◽

Vol 147 (3-4) ◽

pp. 321-329 ◽

Author(s):

W. Pyckhout ◽

I. Callaerts ◽

C. Van Alsenoy ◽

H.J. Geise ◽

A. Almenningen ◽

...

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Force Field ◽

Ab Initio ◽

Gas Phase ◽

Force Field Calculations

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The form of the normal modes of s-triazine: infrared and Raman spectral analysis and ab initio force field calculations

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/s1386-1425(98)00244-3 ◽

1999 ◽

Vol 55 (5) ◽

pp. 1011-1020 ◽

Author(s):

P.J. Larkin ◽

M.P. Makowski ◽

N.B. Colthup

Keyword(s):

Spectral Analysis ◽

Force Field ◽

Ab Initio ◽

Normal Modes ◽

Force Field Calculations ◽

Raman Spectral ◽

Raman Spectral Analysis

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Empirical force field calculations on sandalwood odor molecules

European Journal of Medicinal Chemistry ◽

10.1016/0223-5234(87)90040-7 ◽

1987 ◽

Vol 22 (5) ◽

pp. 479-480 ◽

Author(s):

Anton Beyer ◽

Peter Wolschann ◽

Armin Becker ◽

Gerhard Buchbauer ◽

Karin Mraz

Keyword(s):

Force Field ◽

Force Field Calculations ◽

Empirical Force Field ◽

Empirical Force Field Calculations

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A Simple Way to Predict the Products of Topochemical Photoreactions on the Basis of Force Field Calculations

Angewandte Chemie International Edition in English ◽

10.1002/anie.199113541 ◽

1991 ◽

Vol 30 (10) ◽

pp. 1354-1356 ◽

Author(s):

Klaus Angermund ◽

Carl Krüger ◽

Matthias Nolte ◽

Ingo Klopp

Keyword(s):

Force Field ◽

Force Field Calculations

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

Journal of Molecular Structure ◽

10.1016/0022-2860(89)85007-0 ◽

1989 ◽

Vol 196 ◽

pp. 79-99 ◽

Author(s):

Augusto Rastelli ◽

Enzo Gallinella ◽

Marina Burdisso

Keyword(s):

Force Field ◽

Rotational Isomerism ◽

Vibrational Assignment ◽

Force Field Calculations ◽

Valence Force ◽

Valence Force Field ◽

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