ChemInform Abstract: Stereochemical Applications of Potential Energy Calculations. Part 5. Conformational Studies of Some 1,1,2-Trisubstituted Ethanes (I)-(III) by the Molecular Mechanics Method (MM2).

P. M. IVANOV; S. L. SPASSOV; E. OSAWA

doi:10.1002/chin.198607068

ChemInform Abstract: Stereochemical Applications of Potential Energy Calculations. Part 5. Conformational Studies of Some 1,1,2-Trisubstituted Ethanes (I)-(III) by the Molecular Mechanics Method (MM2).

Chemischer Informationsdienst ◽

10.1002/chin.198607068 ◽

1986 ◽

Vol 17 (7) ◽

Author(s):

P. M. IVANOV ◽

S. L. SPASSOV ◽

E. OSAWA

Keyword(s):

Potential Energy ◽

Molecular Mechanics ◽

Conformational Studies ◽

Energy Calculations ◽

Molecular Mechanics Method ◽

Potential Energy Calculations

Download Full-text

ChemInform Abstract: Stereochemical Applications of Potential Energy Calculations. Part 6. Molecular Mechanics Study of Conformations of (-)-Menthyl Esters of the Stereoisomeric (S)- and (R)-Mandelic Acids.

Chemischer Informationsdienst ◽

10.1002/chin.198624057 ◽

1986 ◽

Vol 17 (24) ◽

Author(s):

P. M. IVANOV

Keyword(s):

Potential Energy ◽

Molecular Mechanics ◽

Energy Calculations ◽

Potential Energy Calculations

Download Full-text

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

Download Full-text

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

Download Full-text

Conformational studies of trinucleoside bisphosphates. 2. Potential energy calculations

European Journal of Biochemistry ◽

10.1111/j.1432-1033.1983.tb07836.x ◽

1983 ◽

Vol 137 (1-2) ◽

pp. 357-363 ◽

Cited By ~ 6

Author(s):

Che-Hung LEE

Keyword(s):

Potential Energy ◽

Conformational Studies ◽

Energy Calculations ◽

Potential Energy Calculations

Download Full-text

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

Download Full-text

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

Download Full-text

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

Download Full-text

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

Download Full-text

Convulsant and anticonvulsant barbiturates. 1. Molecular conformations from classical potential-energy calculations

Journal of Medicinal Chemistry ◽

10.1021/jm00178a017 ◽

1980 ◽

Vol 23 (4) ◽

pp. 444-448 ◽

Cited By ~ 10

Author(s):

G. P. Jones ◽

P. R. Andrews

Keyword(s):

Potential Energy ◽

Molecular Conformations ◽

Energy Calculations ◽

Potential Energy Calculations ◽

Classical Potential

Download Full-text

Effect of Methylation on the Photodynamical Behavior of Arylazoimidazoles: New Insight from Theoretical ab Initio Potential Energy Calculations and Molecular Dynamics Simulations

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.6b10968 ◽

2016 ◽

Vol 121 (1) ◽

pp. 141-150 ◽

Cited By ~ 11

Author(s):

Li Zhao ◽

Jianyong Liu ◽

Panwang Zhou

Keyword(s):

Molecular Dynamics ◽

Potential Energy ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Energy Calculations ◽

Potential Energy Calculations ◽

Dynamics Simulations

Download Full-text