empirical force field calculations Latest Research Papers

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 ◽

Cited By ~ 7

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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Empirical force field calculations. Part 28. Conformations and pseudorotations of 1,3-dioxolane and some methyl-substituted derivatives

Recueil des Travaux Chimiques des Pays-Bas ◽

10.1002/recl.19871061202 ◽

2010 ◽

Vol 106 (12) ◽

pp. 607-612 ◽

Cited By ~ 2

Author(s):

M. van Duin ◽

M. A. Hoefnagel ◽

J. M. A. Baas ◽

B. van de Graaf

Keyword(s):

Force Field ◽

Force Field Calculations ◽

Empirical Force Field ◽

Empirical Force Field Calculations

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Empirical force field calculations VII. Rotation of the tert-butyl groups on the chair conformers of tert-butylcyclohexane, 9-tert-butylbicyclo[3.3.1]nonane and cis-1,2-di-tert-butylcyclohexane

Recueil des Travaux Chimiques des Pays-Bas ◽

10.1002/recl.19800990703 ◽

2010 ◽

Vol 99 (7-8) ◽

pp. 228-233 ◽

Cited By ~ 7

Author(s):

J. M. A. Baas ◽

B. van de Graaf ◽

A. van Veen ◽

B. M. Wepster

Keyword(s):

Force Field ◽

Force Field Calculations ◽

Tert Butyl ◽

Empirical Force Field ◽

Empirical Force Field Calculations

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Empirical force field calculations XXI. The ring inversion of cis-transoid-cis-1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene

Recueil des Travaux Chimiques des Pays-Bas ◽

10.1002/recl.19831020703 ◽

2010 ◽

Vol 102 (7-8) ◽

pp. 352-355

Author(s):

D. Tavernier ◽

J. M. A. Baas ◽

B. van de Graa ◽

P. Vanhee

Keyword(s):

Force Field ◽

Force Field Calculations ◽

Ring Inversion ◽

Empirical Force Field ◽

Empirical Force Field Calculations

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Empirical force field calculations VIII The interconversion of all-cis-1,2,3,4,5,6-hexamethylcyclohexane

Recueil des Travaux Chimiques des Pays-Bas ◽

10.1002/recl.19811000205 ◽

2010 ◽

Vol 100 (2) ◽

pp. 59-61 ◽

Cited By ~ 10

Author(s):

B. van de Graaf ◽

J. M. A. Baas ◽

H. A. Widya

Keyword(s):

Force Field ◽

Force Field Calculations ◽

Empirical Force Field ◽

Empirical Force Field Calculations

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Empirical force field calculations VI: Exploration of reaction paths for the interconversion of conformers. Application to the interconversion of the cyclohexane conformers

Recueil des Travaux Chimiques des Pays-Bas ◽

10.1002/recl.19800990507 ◽

2010 ◽

Vol 99 (5) ◽

pp. 175-178 ◽

Cited By ~ 32

Author(s):

B. van de Graaf ◽

J. M. A. Baas ◽

A. van Veen

Keyword(s):

Force Field ◽

Reaction Paths ◽

Force Field Calculations ◽

Empirical Force Field ◽

Empirical Force Field Calculations

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Empirical Force Field Calculations XIII. The Ring Interconversion Modes of cis-1, 2, 3, 4, 4a, 5, 8, 8a-Octahydronaphthalene and its 1α, 4α-Dimethyl Derivative

Bulletin des Sociétés Chimiques Belges ◽

10.1002/bscb.19810900706 ◽

2010 ◽

Vol 90 (7) ◽

pp. 697-706 ◽

Cited By ~ 6

Author(s):

P. Vanhee ◽

D. Tavernier ◽

J. M. A. Baas ◽

B. van De Graaf

Keyword(s):

Force Field ◽

Force Field Calculations ◽

Empirical Force Field ◽

Empirical Force Field Calculations

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ChemInform Abstract: Optical Resolution, Absolute Configuration and Empirical Force-Field Calculations of (.+-.)-5,8,15,18-Tetramethyl-2,11-diaza(3.3) paracyclophane.

ChemInform ◽

10.1002/chin.199128178 ◽

2010 ◽

Vol 22 (28) ◽

pp. no-no

Author(s):

P. FINOCCHIARO ◽

A. MAMO ◽

S. PAPPALARDO ◽

W. WEISSENSTEINER ◽

M. WIDHALM

Keyword(s):

Force Field ◽

Absolute Configuration ◽

Optical Resolution ◽

Force Field Calculations ◽

Empirical Force Field ◽

Empirical Force Field Calculations

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