Works matching IS 00207608 AND DT 1988 AND VI 34 AND IP 2

Results: 12

Masthead.

Published in:: International Journal of Quantum Chemistry, 1988, v. 34, n. 2, p. fmi, doi. 10.1002/qua.560340201
Publication type:: Article

Spin and charge densities from Hiller-Sucher-Feinberg identities. Test calculations for He, B, C, N, O, and F atoms and H2O, N2, and CH3 molecules.

Published in:

International Journal of Quantum Chemistry, 1988, v. 34, n. 2, p. 195, doi. 10.1002/qua.560340212

By:

Ishida, Kazuhiro

Publication type:

Article

Simplified expansion of Slater orbitals about displaced centers.

Published in:

International Journal of Quantum Chemistry, 1988, v. 34, n. 2, p. 121, doi. 10.1002/qua.560340205

By:

Rico, J. Fernández;
Lóapez, R.;
Ramíarez, G.

Publication type:

Article

Control over theoretical descriptions of atoms and molecules. An information theoretic approach to the automatic classification and systematic improvement of approximate wave functions.

Published in:

International Journal of Quantum Chemistry, 1988, v. 34, n. 2, p. 185, doi. 10.1002/qua.560340209

By:

Maroulis, George

Publication type:

Article

Second announcement.

Published in:: International Journal of Quantum Chemistry, 1988, v. 34, n. 2, p. 193, doi. 10.1002/qua.560340211
Publication type:: Article

A regular periodic table of the elements and its quantum mechanical requirement.

Published in:

International Journal of Quantum Chemistry, 1988, v. 34, n. 2, p. 107, doi. 10.1002/qua.560340204

By:

Purdela, D.

Publication type:

Article

Reduced-diabatic vibrational close coupled treatment of molecular dissociation dynamics.

Published in:

International Journal of Quantum Chemistry, 1988, v. 34, n. 2, p. 161, doi. 10.1002/qua.560340208

By:

Pernot, P.;
Atabek, O.;
Beswick, J. A.;
Levy, B.

Publication type:

Article

Announcement.

Published in:: International Journal of Quantum Chemistry, 1988, v. 34, n. 2, p. 191, doi. 10.1002/qua.560340210
Publication type:: Article

Linear integrability of wave functions.

Published in:

International Journal of Quantum Chemistry, 1988, v. 34, n. 2, p. 103, doi. 10.1002/qua.560340203

By:

Koga, Toshikatsu;
Thakkar, Ajit J.

Publication type:

Article

Nonlinear dynamics of a model hydrogen bond.

Published in:

International Journal of Quantum Chemistry, 1988, v. 34, n. 2, p. 143, doi. 10.1002/qua.560340207

By:

Besnainou, S.

Publication type:

Article

The role of hydrophobicity in the Ames test. The correlation of the mutagenicity of nitropolycyclic hydrocarbons with partition coefficients and molecular orbital indices.

Published in:

International Journal of Quantum Chemistry, 1988, v. 34, n. 2, p. 91, doi. 10.1002/qua.560340202

By:

De Compadre, Rosa L. Lopez;
Shusterman, Alan J.;
Hansch, Corwin

Publication type:

Article

Conformational preferences of modified nucleic acid bases N6-(Δ2-isopentenyl) adenine and 2-methylthio- N6-(Δ2-isopentenyl) adenine by the quantum chemical PCILO calculations.

Published in:

International Journal of Quantum Chemistry, 1988, v. 34, n. 2, p. 133, doi. 10.1002/qua.560340206

By:

Tewari, Ravindra

Publication type:

Article

Works matching IS 00207608 AND DT 1988 AND VI 34 AND IP 2

Masthead.

Spin and charge densities from Hiller-Sucher-Feinberg identities. Test calculations for He, B, C, N, O, and F atoms and H<sub>2</sub>O, N<sub>2</sub>, and CH<sub>3</sub> molecules.

Simplified expansion of Slater orbitals about displaced centers.

Control over theoretical descriptions of atoms and molecules. An information theoretic approach to the automatic classification and systematic improvement of approximate wave functions.

Second announcement.

A regular periodic table of the elements and its quantum mechanical requirement.

Reduced-diabatic vibrational close coupled treatment of molecular dissociation dynamics.

Announcement.

Linear integrability of wave functions.

Nonlinear dynamics of a model hydrogen bond.

The role of hydrophobicity in the Ames test. The correlation of the mutagenicity of nitropolycyclic hydrocarbons with partition coefficients and molecular orbital indices.

Conformational preferences of modified nucleic acid bases N<sup>6</sup>-(Δ<sup>2</sup>-isopentenyl) adenine and 2-methylthio- N<sup>6</sup>-(Δ<sup>2</sup>-isopentenyl) adenine by the quantum chemical PCILO calculations.