Trifluoromethanesulfonic acid catalyzed rearrangement of 2- and 4-homoprotoadamantane to methyladamantanes and the existence of methylprotoadamantane route. Empirical force field calculations

Naotake Takaishi; Yoshiaki Inamoto; Koji Aigami; Yoshiaki Fujikura; Eiji Osawa; Mituyosi Kawanisi; Takeo Katsushima

doi:10.1021/jo00432a001

Trifluoromethanesulfonic acid catalyzed rearrangement of 2- and 4-homoprotoadamantane to methyladamantanes and the existence of methylprotoadamantane route. Empirical force field calculations

The Journal of Organic Chemistry ◽

10.1021/jo00432a001 ◽

1977 ◽

Vol 42 (12) ◽

pp. 2041-2047 ◽

Cited By ~ 7

Author(s):

Naotake Takaishi ◽

Yoshiaki Inamoto ◽

Koji Aigami ◽

Yoshiaki Fujikura ◽

Eiji Osawa ◽

...

Keyword(s):

Force Field ◽

Trifluoromethanesulfonic Acid ◽

Force Field Calculations ◽

Empirical Force Field ◽

Acid Catalyzed ◽

Empirical Force Field Calculations

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ChemInform Abstract: TRIFLUOROMETHANESULFONIC ACID CATALYZED REARRANGEMENT OF 2- AND 4-HOMOPROTOADAMANTANE TO METHYLADAMANTANES AND THE EXISTENCE OF METHYLPROTOADAMANTANE ROUTE. EMPIRICAL FORCE FIELD CALCULATIONS

Chemischer Informationsdienst ◽

10.1002/chin.197741203 ◽

1977 ◽

Vol 8 (41) ◽

pp. no-no

Author(s):

N. TAKAISHI ◽

Y. INAMOTO ◽

K. AIGAMI ◽

Y. FUJIKURA ◽

E. OSAWA ◽

...

Keyword(s):

Force Field ◽

Trifluoromethanesulfonic Acid ◽

Force Field Calculations ◽

Empirical Force Field ◽

Acid Catalyzed ◽

Empirical 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 ◽

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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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 ◽

Cited By ~ 5

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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ChemInform Abstract: CONFORMATIONAL STUDIES ON HUMULENE BY MEANS OF EMPIRICAL FORCE FIELD CALCULATIONS. ROLE OF STABLE CONFORMERS OF HUMULENE IN BIOSYNTHETIC AND CHEMICAL REACTIONS

Chemischer Informationsdienst ◽

10.1002/chin.198030085 ◽

1980 ◽

Vol 11 (30) ◽

Author(s):

H. SHIRAHAMA ◽

E. OSAWA ◽

T. MATSUMOTO

Keyword(s):

Force Field ◽

Chemical Reactions ◽

Force Field Calculations ◽

Conformational Studies ◽

Empirical Force Field ◽

Empirical Force Field Calculations

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ChemInform Abstract: EMPIRICAL FORCE-FIELD CALCULATIONS OF STRAIN-ENERGY CONTRIBUTIONS TO THE THERMODYNAMICS OF COMPLEX FORMATION. PART 1. THE DIFFERENCE IN STABILITY BETWEEN COMPLEXES CONTAINING FIVE- AND SIX-MEMBERED CHELATE RINGS

Chemischer Informationsdienst ◽

10.1002/chin.197904070 ◽

1979 ◽

Vol 10 (4) ◽

Author(s):

G. J. MCDOUGALL ◽

R. D. HANCOCK ◽

J. C. A. BOEYENS

Keyword(s):

Complex Formation ◽

Force Field ◽

Strain Energy ◽

Force Field Calculations ◽

Thermodynamics Of Complex Formation ◽

Empirical Force Field ◽

The Difference ◽

Empirical Force Field Calculations ◽

Chelate Rings

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ChemInform Abstract: STERIC RELIEF CONTROL OF SOLVOLYSIS RATES OF 1-ALKYL-2-ADAMANTYL SUBSTRATES. EMPIRICAL FORCE-FIELD CALCULATIONS

Chemischer Informationsdienst ◽

10.1002/chin.197910180 ◽

1979 ◽

Vol 10 (10) ◽

Author(s):

D. FARCASIU

Keyword(s):

Force Field ◽

Force Field Calculations ◽

Empirical Force Field ◽

Empirical Force Field Calculations

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Conformational studies on humulene by means of empirical force field calculations. Role of stable conformers of humulene in biosynthetic and chemical reactions

Journal of the American Chemical Society ◽

10.1021/ja00529a052 ◽

1980 ◽

Vol 102 (9) ◽

pp. 3208-3213 ◽

Cited By ~ 51

Author(s):

Haruhisa Shirahama ◽

Eiji Osawa ◽

Takeshi Matsumoto

Keyword(s):

Force Field ◽

Chemical Reactions ◽

Force Field Calculations ◽

Conformational Studies ◽

Empirical Force Field ◽

Empirical Force Field Calculations

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Extended Huckel and empirical force field calculations for chemisorption on metal surfaces

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(84)80039-1 ◽

1984 ◽

Vol 107 ◽

pp. 75-86 ◽

Cited By ~ 10

Author(s):

M. Simonetta ◽

A. Gavezzotti

Keyword(s):

Force Field ◽

Metal Surfaces ◽

Force Field Calculations ◽

Extended Hückel ◽

Empirical Force Field ◽

Empirical Force Field Calculations

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Conformational analysis of bridged biphenyls and 2,2'-bipyridines. Empirical force field calculations (MM2-V4)

The Journal of Organic Chemistry ◽

10.1021/jo00296a019 ◽

1990 ◽

Vol 55 (9) ◽

pp. 2637-2644 ◽

Cited By ~ 26

Author(s):

Carlos Jaime ◽

Josep Font

Keyword(s):

Conformational Analysis ◽

Force Field ◽

Force Field Calculations ◽

Empirical Force Field ◽

Empirical Force Field Calculations

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