Application of force field calculations to organic chemistry. 8. Internal rotation in simple to congested hydrocarbons including 2,3-dimethylbutane, 1,1,2,2-tetra-tert-butylethane, 2,2,4,4,5,5,7,7-octamethyloctane, cholestane

Eiji Osawa; Haruhisa Shirahama; Takeshi Matsumoto

doi:10.1021/ja00511a008

Application of force field calculations to organic chemistry. 8. Internal rotation in simple to congested hydrocarbons including 2,3-dimethylbutane, 1,1,2,2-tetra-tert-butylethane, 2,2,4,4,5,5,7,7-octamethyloctane, cholestane

Journal of the American Chemical Society ◽

10.1021/ja00511a008 ◽

1979 ◽

Vol 101 (17) ◽

pp. 4824-4832 ◽

Cited By ~ 42

Author(s):

Eiji Osawa ◽

Haruhisa Shirahama ◽

Takeshi Matsumoto

Keyword(s):

Organic Chemistry ◽

Force Field ◽

Internal Rotation ◽

Force Field Calculations

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ChemInform Abstract: APPLICATION OF FORCE FIELD CALCULATIONS TO ORGANIC CHEMISTRY. 8. INTERNAL ROTATION IN SIMPLE TO CONGESTED HYDROCARBONS INCLUDING 2,3-DIMETHYLBUTANE, 1,1,2,2-TETRA-TERT-BUTYLETHANE, 2,2,4,4,5,5,7,7-OCTAMETHYLOCTANE, CHOLESTANE

Chemischer Informationsdienst ◽

10.1002/chin.197947058 ◽

1979 ◽

Vol 10 (47) ◽

Author(s):

E. OSAWA ◽

H. SHIRAHAMA ◽

T. MATSUMOTO

Keyword(s):

Organic Chemistry ◽

Force Field ◽

Internal Rotation ◽

Force Field Calculations

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Application of force field calculations to organic chemistry. Part 7. Steric interpretation of thermolysis, homoketonization, ring enlargement, and acid-catalysed rearrangement of strained cage molecules

Journal of the Chemical Society Perkin Transactions 2 ◽

10.1039/p29790000181 ◽

1979 ◽

pp. 181-191 ◽

Cited By ~ 15

Author(s):

Eiji Ōsawa ◽

Koji Aigami ◽

Yoshiaki Inamoto

Keyword(s):

Organic Chemistry ◽

Force Field ◽

Force Field Calculations ◽

Ring Enlargement ◽

Cage Molecules

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Application of force field calculations to organic chemistry. 9. Possibilities of correlated conformational processes among mobile ethano bridges of polycyclic hydrocarbons by bond drive calculations

Journal of the American Chemical Society ◽

10.1021/ja00513a011 ◽

1979 ◽

Vol 101 (19) ◽

pp. 5523-5529 ◽

Cited By ~ 17

Author(s):

Eiji Osawa

Keyword(s):

Organic Chemistry ◽

Force Field ◽

Force Field Calculations ◽

Polycyclic Hydrocarbons

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Barriers to internal rotation in 1,3,5-trineopentylbenzenes: 10—13C and19F NMR band shape studies and force field calculations

Organic Magnetic Resonance ◽

10.1002/omr.1270211004 ◽

1983 ◽

Vol 21 (10) ◽

pp. 602-615 ◽

Cited By ~ 1

Author(s):

Sven Andersson ◽

Torbjörn Drakenberg

Keyword(s):

Force Field ◽

Internal Rotation ◽

Force Field Calculations ◽

Band Shape ◽

Barriers To Internal Rotation

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Application of force field calculations to organic chemistry—V

Tetrahedron ◽

10.1016/0040-4020(78)80044-1 ◽

1978 ◽

Vol 34 (5) ◽

pp. 509-515 ◽

Cited By ~ 20

Author(s):

E. Ōsawa ◽

K. Aigami ◽

Y. Inamoto

Keyword(s):

Organic Chemistry ◽

Force Field ◽

Force Field Calculations

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Application of force field calculations to organic chemistry. Part 6. Steric analysis of synthesis and structure of 1,4-dihydroxytricyclo-[6.4.0.0]dodecane-7,10-dione. Dynamic conformational calculations of its hydrocarbon skeleton and related systems (bicyclo[3.3.1]nonane and bicyclo[3.3.2]decane)

Journal of the Chemical Society Perkin Transactions 2 ◽

10.1039/p29790000172 ◽

1979 ◽

pp. 172-180 ◽

Cited By ~ 10

Author(s):

Eiji Ōsawa ◽

Koji Aigami ◽

Yoshiaki Inamoto

Keyword(s):

Organic Chemistry ◽

Force Field ◽

Force Field Calculations ◽

Conformational Calculations

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Vibrational spectrum, force Field calculations, thermodynamic functions and barrier to internal rotation for benzoyl fluoride

Spectrochimica Acta Part A Molecular Spectroscopy ◽

10.1016/0584-8539(87)80241-6 ◽

1987 ◽

Vol 43 (7) ◽

pp. 901-909 ◽

Cited By ~ 10

Author(s):

R.A. Yadav ◽

S. Ram ◽

R. Shanker ◽

I.S. Singh

Keyword(s):

Vibrational Spectrum ◽

Force Field ◽

Internal Rotation ◽

Thermodynamic Functions ◽

Force Field Calculations

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ChemInform Abstract: APPLICATION OF FORCE FIELD CALCULATIONS TO ORGANIC CHEMISTRY. PART 7. STERIC INTERPRETATION OF THERMOLYSIS, HOMOKETONIZATION, RING ENLARGEMENT, AND ACID-CATALYZED REARRANGEMENT OF STRAINED CAGE MOLECULES

Chemischer Informationsdienst ◽

10.1002/chin.197917078 ◽

1979 ◽

Vol 10 (17) ◽

Author(s):

E. OSAWA ◽

K. AIGAMI ◽

Y. INAMOTO

Keyword(s):

Organic Chemistry ◽

Force Field ◽

Force Field Calculations ◽

Ring Enlargement ◽

Cage Molecules ◽

Acid Catalyzed

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Barriers to Internal Rotation in 1,3,5-Trineopentylbenzenes. IX. Force Field Calculations and 13C and 2H NMR Relaxation Measurements on 1,3,5-Trineopentylbenzene.

Acta Chemica Scandinavica ◽

10.3891/acta.chem.scand.34b-0661 ◽

1980 ◽

Vol 34b ◽

pp. 661-667 ◽

Cited By ~ 7

Author(s):

Sven Andersson ◽

Robert E. Carter ◽

Torbjörn Drakenberg ◽

J. M. Savéant ◽

Mauri Lounasmaa

Keyword(s):

Force Field ◽

Internal Rotation ◽

Nmr Relaxation ◽

2H Nmr ◽

Force Field Calculations ◽

Relaxation Measurements ◽

Barriers To Internal Rotation

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ChemInform Abstract: CARBON-13 NMR AND FORCE FIELD CALCULATIONS ON THE BARRIER TO INTERNAL ROTATION IN AND CONFORMATIONAL EQUILIBRIA OF THE BENZENEDICARBALDEHYDES

Chemischer Informationsdienst ◽

10.1002/chin.197816052 ◽

1978 ◽

Vol 9 (16) ◽

Author(s):

J.-M. BERNASSAU ◽

T. DRAKENBERG ◽

T. LILJEFORS

Keyword(s):

Force Field ◽

Internal Rotation ◽

Force Field Calculations ◽

Conformational Equilibria

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