Works matching IS 00207608 AND DT 2000 AND VI 76 AND IP 2

Results: 16

List of participants.

Published in:: International Journal of Quantum Chemistry, 2000, v. 76, n. 2, p. 131, doi. 10.1002/(SICI)1097-461X(2000)76:2<131::AID-QUA3>3.0.CO;2-I
Publication type:: Article

Extracting polarized atomic orbitals from molecular orbital calculations.

Published in:

International Journal of Quantum Chemistry, 2000, v. 76, n. 2, p. 169, doi. 10.1002/(SICI)1097-461X(2000)76:2<169::AID-QUA7>3.0.CO;2-G

By:

Lee, Michael S.;
Head‐Gordon, Martin

Publication type:

Article

Modeling the charge dependence of total energy and its relevance to electrophilicity.

Published in:

International Journal of Quantum Chemistry, 2000, v. 76, n. 2, p. 222, doi. 10.1002/(SICI)1097-461X(2000)76:2<222::AID-QUA11>3.0.CO;2-6

By:

Von Szentpály, László

Publication type:

Article

Introduction: Klaus Rüdenberg.

Published in:

International Journal of Quantum Chemistry, 2000, v. 76, n. 2, p. 115, doi. 10.1002/(SICI)1097-461X(2000)76:2<115::AID-QUA2>3.0.CO;2-B

By:

Zerner, Michael C.

Publication type:

Article

Valence States of BeO Feynman's Way.

Published in:

International Journal of Quantum Chemistry, 2000, v. 76, n. 2, p. 259, doi. 10.1002/(SICI)1097-461X(2000)76:2<259::AID-QUA15>3.0.CO;2-F

By:

Sorensen, Thomas E.;
England, Walter B.

Publication type:

Article

Stochastic construction of reaction paths: A genetic algorithm-based approach.

Published in:

International Journal of Quantum Chemistry, 2000, v. 76, n. 2, p. 161, doi. 10.1002/(SICI)1097-461X(2000)76:2<161::AID-QUA6>3.0.CO;2-6

By:

Chaudhury, Pinaki;
Bhattacharyya, S. P.

Publication type:

Article

Gaussian basis sets for use in correlated molecular calculations. VIII. Standard and augmented sextuple zeta correlation consistent basis sets for aluminum through argon.

Published in:

International Journal of Quantum Chemistry, 2000, v. 76, n. 2, p. 205, doi. 10.1002/(SICI)1097-461X(2000)76:2<205::AID-QUA10>3.0.CO;2-C

By:

Van Mourik, Tanja;
Dunning, Thom H.

Publication type:

Article

Integral constraint on the density functional for nonadditive kinetic energy in Kohn-Sham theory for subsystems.

Published in:

International Journal of Quantum Chemistry, 2000, v. 76, n. 2, p. 252, doi. 10.1002/(SICI)1097-461X(2000)76:2<252::AID-QUA14>3.0.CO;2-P

By:

Nalewajski, Roman F.

Publication type:

Article

Klaus Rüdenberg.

Published in:: International Journal of Quantum Chemistry, 2000, v. 76, n. 2, p. 113, doi. 10.1002/(SICI)1097-461X(2000)76:2<113::AID-QUA1>3.0.CO;2-K
Publication type:: Article

On Rüdenberg's integral approximations and their unrestricted and combined use in molecular orbital theories of Hartree-Fock type.

Published in:

International Journal of Quantum Chemistry, 2000, v. 76, n. 2, p. 148, doi. 10.1002/(SICI)1097-461X(2000)76:2<148::AID-QUA5>3.0.CO;2-R

By:

Koch, Wolfhard

Publication type:

Article

On the possibility of binding of two electrons to dipole potentials.

Published in:

International Journal of Quantum Chemistry, 2000, v. 76, n. 2, p. 197, doi. 10.1002/(SICI)1097-461X(2000)76:2<197::AID-QUA9>3.0.CO;2-D

By:

Skurski, Piotr;
Gutowski, Maciej;
Simons, Jack

Publication type:

Article

Molecular calculations with B functions.

Published in:

International Journal of Quantum Chemistry, 2000, v. 76, n. 2, p. 244, doi. 10.1002/(SICI)1097-461X(2000)76:2<244::AID-QUA13>3.0.CO;2-T

By:

Steinborn, E. O.;
Homeier, H. H. H.;
Ema, I.;
Lopez, R.;
Ramírez, G.

Publication type:

Article

Ab initio calculation of the magnetic exchange coupling in linear oxo-bridged heterobinuclear complexes of titanium (III), vanadium (III), and chromium (III).

Published in:

International Journal of Quantum Chemistry, 2000, v. 76, n. 2, p. 137, doi. 10.1002/(SICI)1097-461X(2000)76:2<137::AID-QUA4>3.0.CO;2-Y

By:

Kolczewski, Ch.;
Fink, K.;
Staemmler, V.

Publication type:

Article

B<sub>k</sub> approximation applied to the multireference configuration interaction method.

Published in:

International Journal of Quantum Chemistry, 2000, v. 76, n. 2, p. 185, doi. 10.1002/(SICI)1097-461X(2000)76:2<185::AID-QUA8>3.0.CO;2-N

By:

Sychrovský, Vladimír;
Čársky, Petr;
Lischka, Hans

Publication type:

Article

Diabatic bases and molecular properties.

Published in:

International Journal of Quantum Chemistry, 2000, v. 76, n. 2, p. 235, doi. 10.1002/(SICI)1097-461X(2000)76:2<235::AID-QUA12>3.0.CO;2-Y

By:

Kryachko, Eugene S.;
Yarkony, David R.

Publication type:

Article

Addition theorems as three-dimensional Taylor expansions.

Published in:

International Journal of Quantum Chemistry, 2000, v. 76, n. 2, p. 280, doi. 10.1002/(SICI)1097-461X(2000)76:2<280::AID-QUA16>3.0.CO;2-C

By:

Weniger, Ernst Joachim

Publication type:

Article