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

J.-M. BERNASSAU; T. DRAKENBERG; T. LILJEFORS

doi:10.1002/chin.197816052

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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13C NMR and Force Field Calculations on the Barrier to Internal Rotation in and Conformational Equilibria of the Benzenedicarbaldehydes.

Acta Chemica Scandinavica ◽

10.3891/acta.chem.scand.31b-0836 ◽

1977 ◽

Vol 31b ◽

pp. 836-842 ◽

Cited By ~ 8

Author(s):

Jean-Marie Bernassau ◽

Torbjörn Drakenberg ◽

Tommy Liljefors ◽

Ian Dunkin ◽

L. Nørskov ◽

...

Keyword(s):

Force Field ◽

Internal Rotation ◽

13C Nmr ◽

Force Field Calculations ◽

Conformational Equilibria

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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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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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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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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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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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Internal rotation of methyl groups in terpenes. Variable-temperature carbon-13 spin-lattice relaxation time measurements and force-field calculations

Journal of Magnetic Resonance (1969) ◽

10.1016/0022-2364(80)90173-0 ◽

1980 ◽

Vol 38 (1) ◽

pp. 9-22 ◽

Cited By ~ 12

Author(s):

Anders Ericsson ◽

Jozef Kowalewski ◽

Tommy Liljefors ◽

Peter Stilbs

Keyword(s):

Relaxation Time ◽

Force Field ◽

Internal Rotation ◽

Variable Temperature ◽

Lattice Relaxation ◽

Lattice Relaxation Time ◽

Spin Lattice Relaxation ◽

Methyl Groups ◽

Force Field Calculations ◽

Spin Lattice

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Conformational equilibria and cyclodextrin inclusion complexes. Computational study by force field calculations (MM3(92))

Journal of Molecular Structure ◽

10.1016/s0022-2860(97)00277-9 ◽

1998 ◽

Vol 442 (1-3) ◽

pp. 93-101 ◽

Cited By ~ 11

Author(s):

Xavier Sánchez-Ruiz ◽

Mar Ramos ◽

Carlos Jaime

Keyword(s):

Force Field ◽

Inclusion Complexes ◽

Computational Study ◽

Force Field Calculations ◽

Cyclodextrin Inclusion Complexes ◽

Cyclodextrin Inclusion ◽

Conformational Equilibria

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ChemInform Abstract: BARRIERS TO INTERNAL ROTATION IN 1,3,5-TRINEOPENTYLBENZENES. IX. FORCE FIELD CALCULATIONS AND CARBON-13 AND DEUTERON NMR RELAXATION MEASUREMENTS ON 1,3,5-TRINEOPENTYLBENZENE

Chemischer Informationsdienst ◽

10.1002/chin.198116055 ◽

1981 ◽

Vol 12 (16) ◽

Author(s):

S. ANDERSSON ◽

R. E. CARTER ◽

T. DRAKENBERG

Keyword(s):

Force Field ◽

Internal Rotation ◽

Nmr Relaxation ◽

Force Field Calculations ◽

Relaxation Measurements ◽

Barriers To Internal Rotation ◽

Deuteron Nmr

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Conformational Analysis of Vitamin D: NMR and Force Field Calculations

Vitamin D - Biochemical, Chemical and Clinical Aspects Related to Calcium Metabolism ◽

10.1515/9783112327203-012 ◽

1977 ◽

pp. 71-84

Keyword(s):

Vitamin D ◽

Conformational Analysis ◽

Force Field ◽

Force Field Calculations

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