Diels-alder reactions of tropylium ion. An empirical force field study

Tetrahedron Letters ◽

10.1016/0040-4039(90)80199-v ◽

1990 ◽

Vol 31 (16) ◽

pp. 2255-2258

Author(s):

George B. Clemans ◽

R.G. Jacoby ◽

M.S. Metzger

Keyword(s):

Force Field ◽

Field Study ◽

Diels Alder ◽

Empirical Force Field

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The dynamic behaviour of 1,8-Di-t-butylnaphthalene and its group IVA [(CH3)3M] analogues: an empirical force field study

Journal of Organometallic Chemistry ◽

10.1016/s0022-328x(00)94077-4 ◽

1979 ◽

Vol 177 (2) ◽

pp. 329-332 ◽

Author(s):

M.G. Hutchings ◽

I. Watt

Keyword(s):

Force Field ◽

Field Study ◽

Dynamic Behaviour ◽

Group Iva ◽

Empirical Force Field

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ChemInform Abstract: Empirical Force-Field Models for the Transition States of Intramolecular Diels-Alder Reactions Based Upon ab initio Transition Structures.

10.1002/chin.199237068 ◽

2010 ◽

Vol 23 (37) ◽

pp. no-no

Author(s):

L. RAIMONDI ◽

F. K. BROWN ◽

J. GONZALEZ ◽

K. N. HOUK

Keyword(s):

Force Field ◽

Ab Initio ◽

Transition States ◽

Diels Alder ◽

Transition Structures ◽

Empirical Force Field

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Empirical force field models for the transition states of intramolecular Diels-Alder reactions based upon ab initio transition structures

Journal of the American Chemical Society ◽

10.1021/ja00038a052 ◽

1992 ◽

Vol 114 (12) ◽

pp. 4796-4804 ◽

Author(s):

Laura Raimondi ◽

Frank K. Brown ◽

Javier Gonzalez ◽

K. N. Houk

Keyword(s):

Force Field ◽

Ab Initio ◽

Transition States ◽

Diels Alder ◽

Transition Structures ◽

Empirical Force Field

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Empirical force field study of geometries and conformational transitions of some organic molecules

Journal of the American Chemical Society ◽

10.1021/ja00029a001 ◽

1992 ◽

Vol 114 (3) ◽

pp. 801-812 ◽

Author(s):

Jeremy C. Smith ◽

Martin Karplus

Keyword(s):

Force Field ◽

Field Study ◽

Organic Molecules ◽

Conformational Transitions ◽

Empirical Force Field

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Correlated rotation of aryl substituents in diarylmethyl-, diarylphosphine- and related fragments. An empirical force field study

Monatshefte für Chemie - Chemical Monthly ◽

10.1007/bf00808276 ◽

1992 ◽

Vol 123 (12) ◽

pp. 1135-1147 ◽

Author(s):

W. Weissensteiner

Keyword(s):

Force Field ◽

Field Study ◽

Empirical Force Field

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Structure, Energetics, Vibrational Frequencies and Charge Transfer of Base Pairs, Nucleoside Pairs, Nucleotide Pairs and B-DNA Pairs of Trinucleotides:ab initioHF/MINI-1 and Empirical Force Field Study

Journal of Biomolecular Structure and Dynamics ◽

10.1080/07391102.2000.10506593 ◽

2000 ◽

Vol 17 (6) ◽

pp. 1077-1086 ◽

Author(s):

Martin Kabeláč ◽

Martin Kratochvíl ◽

Jiří Šponer ◽

Pavel Hobza

Keyword(s):

Charge Transfer ◽

Force Field ◽

Field Study ◽

Vibrational Frequencies ◽

Empirical Force Field

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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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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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Computational studies on carbohydrates: solvation studies on maltose and cyclomaltooligosaccharides (cyclodextrins) using a DFT/ab initio-derived empirical force field, AMB99C

Carbohydrate Research ◽

10.1016/s0008-6215(00)00043-4 ◽

2000 ◽

Vol 326 (3) ◽

pp. 210-226 ◽

Author(s):

Frank.A. Momany ◽

J.L. Willett

Keyword(s):

Force Field ◽

Ab Initio ◽

Computational Studies ◽

Empirical Force Field

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