Works matching IS 00207608 AND DT 1999 AND VI 71 AND IP 2

Results: 11

On the application of conventional quantum chemistry methods of computation to states perturbed by the continuous spectrum.

Published in:

International Journal of Quantum Chemistry, 1999, v. 71, n. 2, p. 209, doi. 10.1002/(SICI)1097-461X(1999)71:2<209::AID-QUA10>3.0.CO;2-P

By:

Nicolaides, Cleanthes A.

Publication type:

Article

Modified hybridization displacement charge scheme for π-electron systems: Study of molecular electrostatic potential maps.

Published in:

International Journal of Quantum Chemistry, 1999, v. 71, n. 2, p. 191, doi. 10.1002/(SICI)1097-461X(1999)71:2<191::AID-QUA8>3.0.CO;2-7

By:

Mishra, P. C.;
Kumar, Anil

Publication type:

Article

Higher order finite element solution of the one-dimensional Schrödinger equation.

Published in:

International Journal of Quantum Chemistry, 1999, v. 71, n. 2, p. 147, doi. 10.1002/(SICI)1097-461X(1999)71:2<147::AID-QUA3>3.0.CO;2-9

By:

Eid, R.

Publication type:

Article

Lie algebraic approach to multiphoton excitation of diatomic molecules in intense laser fields.

Published in:

International Journal of Quantum Chemistry, 1999, v. 71, n. 2, p. 201, doi. 10.1002/(SICI)1097-461X(1999)71:2<201::AID-QUA9>3.0.CO;2-A

By:

Dai, Ying;
Ding, Shi-liang

Publication type:

Article

The electron-pair origin of antiaromaticity: Spectroscopic manifestations.

Published in:

International Journal of Quantum Chemistry, 1999, v. 71, n. 2, p. 133, doi. 10.1002/(SICI)1097-461X(1999)71:2<133::AID-QUA2>3.0.CO;2-P

By:

Zilberg, Shmuel;
Haas, Yehuda

Publication type:

Article

Electron correlation and structure dependencies of the second hyperpolarizability of ethylene.

Published in:

International Journal of Quantum Chemistry, 1999, v. 71, n. 2, p. 177, doi. 10.1002/(SICI)1097-461X(1999)71:2<177::AID-QUA6>3.0.CO;2-Y

By:

Yamada, S.;
Nakano, M.;
Nagao, H.;
Yamaguchi, K.

Publication type:

Article

Approximation to wave functions, energies, and energy derivatives for molecular systems based on distribution theory.

Published in:

International Journal of Quantum Chemistry, 1999, v. 71, n. 2, p. 121, doi. 10.1002/(SICI)1097-461X(1999)71:2<121::AID-QUA1>3.0.CO;2-Z

By:

Moyano, Gloria E.;
Villaveces, José L.

Publication type:

Article

Torsional symmetry dependence of S<sub>1</sub> dynamics in molecules that undergo methyl internal rotation.

Published in:

International Journal of Quantum Chemistry, 1999, v. 71, n. 2, p. 167, doi. 10.1002/(SICI)1097-461X(1999)71:2<167::AID-QUA5>3.0.CO;2-1

By:

Moule, David C.;
Judge, Richard H.;
Liu, Haisheng;
Lim, Edward C.

Publication type:

Article

Improved upper bounds for the atomic ionization potential.

Published in:

International Journal of Quantum Chemistry, 1999, v. 71, n. 2, p. 185, doi. 10.1002/(SICI)1097-461X(1999)71:2<185::AID-QUA7>3.0.CO;2-#

By:

Angulo, J. C.;
Romera, E.

Publication type:

Article

Theoretical study of water coverage on MgO surfaces.

Published in:

International Journal of Quantum Chemistry, 1999, v. 71, n. 2, p. 153, doi. 10.1002/(SICI)1097-461X(1999)71:2<153::AID-QUA4>3.0.CO;2-H

By:

Almeida, A. L.;
Martins, J. B. L.;
Taft, C. A.;
Longo, E.;
Lester, W. A.

Publication type:

Article

Book review.

Published in:

International Journal of Quantum Chemistry, 1999, v. 71, n. 2, p. 215, doi. 10.1002/(SICI)1097-461X(1999)71:2<215::AID-QUA11>3.0.CO;2-N

By:

Zerner, Michael C.

Publication type:

Article