Application of potential energy calculations to organic chemistry. Part 16. Further examples of enhanced lengthening of strained carbon-carbon bonds by orbital interactions

Eiji Osawa; P. Ivanov; Carlos Jaime

doi:10.1021/jo00170a023

Application of potential energy calculations to organic chemistry. Part 16. Further examples of enhanced lengthening of strained carbon-carbon bonds by orbital interactions

The Journal of Organic Chemistry ◽

10.1021/jo00170a023 ◽

1983 ◽

Vol 48 (22) ◽

pp. 3990-3993 ◽

Cited By ~ 18

Author(s):

Eiji Osawa ◽

P. Ivanov ◽

Carlos Jaime

Keyword(s):

Organic Chemistry ◽

Potential Energy ◽

Energy Calculations ◽

Orbital Interactions ◽

Potential Energy Calculations ◽

Carbon Carbon Bonds ◽

Carbon Bonds

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ChemInform Abstract: APPLICATION OF POTENTIAL ENERGY CALCULATIONS TO ORGANIC CHEMISTRY. PART 16. FURTHER EXAMPLES OF ENHANCED LENGTHENING OF STRAINED CARBON-CARBON BONDS BY ORBITAL INTERACTIONS

Chemischer Informationsdienst ◽

10.1002/chin.198414042 ◽

1984 ◽

Vol 15 (14) ◽

Author(s):

E. OSAWA ◽

P. IVANOV ◽

C. JAIME

Keyword(s):

Organic Chemistry ◽

Potential Energy ◽

Energy Calculations ◽

Orbital Interactions ◽

Potential Energy Calculations ◽

Carbon Carbon Bonds ◽

Carbon Bonds

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ChemInform Abstract: APPLICATION OF POTENTIAL-ENERGY CALCULATIONS TO ORGANIC CHEMISTRY. PART 15. MOLECULAR-MECHANICS CALCULATIONS IN ORGANIC CHEMISTRY: EXAMPLES OF THE USEFULNESS OF A SIMPLE NONQUANTUM-MECHANICAL MODEL

Chemischer Informationsdienst ◽

10.1002/chin.198316338 ◽

1983 ◽

Vol 14 (16) ◽

Cited By ~ 1

Author(s):

E. OSAWA ◽

H. MUSSO

Keyword(s):

Organic Chemistry ◽

Potential Energy ◽

Molecular Mechanics ◽

Mechanical Model ◽

Molecular Mechanics Calculations ◽

Energy Calculations ◽

Potential Energy Calculations

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Application of empirical potential energy calculations to organic chemistry. Part 19. Conformational preference in 2,4-dimethoxybicyclo[3.3.1]nonan-9-one and related molecules. Analysis of vicinal NMR coupling constants in multiple rotor system by combined molecular mechanics and generalized Karplus equation

The Journal of Organic Chemistry ◽

10.1021/jo00172a014 ◽

1983 ◽

Vol 48 (24) ◽

pp. 4514-4519 ◽

Cited By ~ 42

Author(s):

Carlos Jaime ◽

Eiji Osawa ◽

Yoshito Takeuchi ◽

Pelayo Camps

Keyword(s):

Organic Chemistry ◽

Potential Energy ◽

Molecular Mechanics ◽

Rotor System ◽

Coupling Constants ◽

Conformational Preference ◽

Karplus Equation ◽

Energy Calculations ◽

Empirical Potential ◽

Potential Energy Calculations

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ChemInform Abstract: APPLICATION OF EMPIRICAL POTENTIAL ENERGY CALCULATIONS TO ORGANIC CHEMISTRY. PART 22. RESTRICTED INTERNAL ROTATION IN SUBSTITUTED 1,1′-BIPIPERIDINES, 1-CYCLOHEXYLPIPERIDINES, AND RELATED MOLECULES DUE TO 1,5-INTERACTIONS ACROSS THE PI

Chemischer Informationsdienst ◽

10.1002/chin.198437068 ◽

1984 ◽

Vol 15 (37) ◽

Author(s):

C. JAIME ◽

E. OSAWA

Keyword(s):

Organic Chemistry ◽

Potential Energy ◽

Internal Rotation ◽

Energy Calculations ◽

Empirical Potential ◽

Potential Energy Calculations

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ChemInform Abstract: APPLICATION OF EMPIRICAL POTENTIAL ENERGY CALCULATIONS TO ORGANIC CHEMISTRY. PART 19. CONFORMATIONAL PREFERENCE IN 2,4-DIMETHOXYBICYCLO(3.3.1)NONAN-9-ONE AND RELATED MOLECULES. ANALYSIS OF VICINAL NMR COUPLING CONSTANTS IN MULTIPLE RO

Chemischer Informationsdienst ◽

10.1002/chin.198419065 ◽

1984 ◽

Vol 15 (19) ◽

Author(s):

C. JAIME ◽

E. OSAWA ◽

Y. TAKEUCHI ◽

P. CAMPS

Keyword(s):

Organic Chemistry ◽

Potential Energy ◽

Coupling Constants ◽

Conformational Preference ◽

Energy Calculations ◽

Empirical Potential ◽

Potential Energy Calculations

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Application of empirical potential energy calculations to organic chemistry. Part 22. Restricted internal rotation in substituted 1,1′-bipiperidines, 1-cyclohexylpiperidines, and related molecules due to 1,5-interactions across the pivot bond

Journal of the Chemical Society Perkin Transactions 2 ◽

10.1039/p29840000995 ◽

1984 ◽

pp. 995-999 ◽

Cited By ~ 6

Author(s):

Carlos Jaime ◽

Eiji Ōsawa

Keyword(s):

Organic Chemistry ◽

Potential Energy ◽

Internal Rotation ◽

Energy Calculations ◽

Empirical Potential ◽

Potential Energy Calculations

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CO2 and CO monolayers on MgO(100) : LEED experiments and potential energy calculations

Journal de Physique I ◽

10.1051/jp1:1994235 ◽

1994 ◽

Vol 4 (6) ◽

pp. 905-920 ◽

Cited By ~ 32

Author(s):

V. Panella ◽

J. Suzanne ◽

P. N. M. Hoang ◽

C. Girardet

Keyword(s):

Potential Energy ◽

Energy Calculations ◽

Potential Energy Calculations

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POTENTIAL ENERGY CALCULATIONS ON POLYACETYLENE

Le Journal de Physique Colloques ◽

10.1051/jphyscol:1983388 ◽

1983 ◽

Vol 44 (C3) ◽

pp. C3-447-C3-450

Author(s):

E. Cernia ◽

L. D'Ilario ◽

G. Nencini

Keyword(s):

Potential Energy ◽

Energy Calculations ◽

Potential Energy Calculations

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Preliminary potential energy calculations of cellulose iα crystal structure

Macromolecular Theory and Simulations ◽

10.1002/mats.1994.040030115 ◽

1994 ◽

Vol 3 (1) ◽

pp. 185-191 ◽

Cited By ~ 20

Author(s):

Alvo Aabloo ◽

Alfred D. French

Keyword(s):

Crystal Structure ◽

Potential Energy ◽

Energy Calculations ◽

Potential Energy Calculations ◽

Cellulose Iα

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Conformational structure of glycerol trivalerate and its relation to phospholipids: Studies by NMR and potential energy calculations

Chemistry and Physics of Lipids ◽

10.1016/0009-3084(78)90056-7 ◽

1978 ◽

Vol 21 (1-2) ◽

pp. 77-96 ◽

Cited By ~ 16

Author(s):

Girjesh Govil ◽

Ramakrishna V. Hosur ◽

Anil Saran

Keyword(s):

Potential Energy ◽

Conformational Structure ◽

Energy Calculations ◽

Potential Energy Calculations

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