Works matching IS 00207608 AND DT 1997 AND VI 65 AND IP 6

Results: 12

Correlation of ultraviolet spectra with structure via the integrated molecular and electronic transforms.

Published in:

International Journal of Quantum Chemistry, 1997, v. 65, n. 6, p. 1047, doi. 10.1002/(SICI)1097-461X(1997)65:6<1047::AID-QUA3>3.0.CO;2-V

By:

Molnar, Stephen P.;
King, James W.

Publication type:

Article

Local dielectric constants and Poisson-Boltzmann calculations of DNA counterion distributions.

Published in:

International Journal of Quantum Chemistry, 1997, v. 65, n. 6, p. 1087, doi. 10.1002/(SICI)1097-461X(1997)65:6<1087::AID-QUA7>3.0.CO;2-R

By:

Lamm, Gene;
Pack, George R.

Publication type:

Article

Theoretical studies of inclusion complexes of α- and β-cyclodextrin with benzoic acid and phenol.

Published in:

International Journal of Quantum Chemistry, 1997, v. 65, n. 6, p. 1135, doi. 10.1002/(SICI)1097-461X(1997)65:6<1135::AID-QUA12>3.0.CO;2-4

By:

Huang, Ming-Ju;
Watts, John D.;
Bodor, Nicholas

Publication type:

Article

Ab initio and molecular mechanics conformational analysis of neutral L-proline.

Published in:

International Journal of Quantum Chemistry, 1997, v. 65, n. 6, p. 1033, doi. 10.1002/(SICI)1097-461X(1997)65:6<1033::AID-QUA2>3.0.CO;2-W

By:

Ramek, Michael;
Kelterer, Anne-Marie;
Nikolić, Sonja

Publication type:

Article

Density functional calculations of dioxygen binding in mono- and dinuclear copper complexes.

Published in:

International Journal of Quantum Chemistry, 1997, v. 65, n. 6, p. 1077, doi. 10.1002/(SICI)1097-461X(1997)65:6<1077::AID-QUA6>3.0.CO;2-S

By:

Bérces, Attila

Publication type:

Article

A semiempirical study on leupeptin: An inhibitor of cysteine proteases.

Published in:

International Journal of Quantum Chemistry, 1997, v. 65, n. 6, p. 1125, doi. 10.1002/(SICI)1097-461X(1997)65:6<1125::AID-QUA11>3.0.CO;2-4

By:

Barreiro, Gabriela;
Bicca De Alencastro, Ricardo;
Da Motta Neto, Joaquim Delphino

Publication type:

Article

Introduction.

Published in:

International Journal of Quantum Chemistry, 1997, v. 65, n. 6, p. 1031, doi. 10.1002/(SICI)1097-461X(1997)65:6<1031::AID-QUA1>3.0.CO;2-W

By:

Öhrn, N. Y.;
Sabin, J. R.;
Zerner, M. C.

Publication type:

Article

On characterization of molecular surfaces.

Published in:

International Journal of Quantum Chemistry, 1997, v. 65, n. 6, p. 1065, doi. 10.1002/(SICI)1097-461X(1997)65:6<1065::AID-QUA5>3.0.CO;2-T

By:

Randić, Milan;
Krilov, Goran

Publication type:

Article

Pharmacophoric pattern in valpromide derivatives.

Published in:

International Journal of Quantum Chemistry, 1997, v. 65, n. 6, p. 1107, doi. 10.1002/(SICI)1097-461X(1997)65:6<1107::AID-QUA9>3.0.CO;2-Z

By:

Tasso, Silvina;
Bruno-Blanch, Luis;
Estiú, Guillermina L.

Publication type:

Article

Conformational analysis of polypeptide chains with the aid of density of states calculations.

Published in:

International Journal of Quantum Chemistry, 1997, v. 65, n. 6, p. 1115, doi. 10.1002/(SICI)1097-461X(1997)65:6<1115::AID-QUA10>3.0.CO;2-4

By:

Jacchieri, Saul G.

Publication type:

Article

Dimerization of dexanabinol by hydrogen bonding accounts for its hydrophobic character.

Published in:

International Journal of Quantum Chemistry, 1997, v. 65, n. 6, p. 1057, doi. 10.1002/(SICI)1097-461X(1997)65:6<1057::AID-QUA4>3.0.CO;2-U

By:

Pop, Emil;
Brewster, Marcus E.

Publication type:

Article

Valence ionization potentials of anionic phosphate esters: An ab initio quantum mechanical study.

Published in:

International Journal of Quantum Chemistry, 1997, v. 65, n. 6, p. 1095, doi. 10.1002/(SICI)1097-461X(1997)65:6<1095::AID-QUA8>3.0.CO;2-Q

By:

Fetzer, Sharon M.;
Lebreton, Pierre R.;
Rohmer, Marie-Madelaine;
Veillard, Alain

Publication type:

Article