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

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

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

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

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

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

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

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

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

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

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