Works matching IS 00207608 AND DT 1992 AND VI 42 AND IP 3

Results: 12

Investigation on the intermolecular electrostatic interactions of some polar molecules with cumulative potential-derived atomic multipole method.

Published in:

International Journal of Quantum Chemistry, 1992, v. 42, n. 3, p. 489, doi. 10.1002/qua.560420310

By:

Kong, Jing;
Yan, Ji-Min

Publication type:

Article

Theoretical study on the reaction mechanism of the alcoholysis of isocyanates.

Published in:

International Journal of Quantum Chemistry, 1992, v. 42, n. 3, p. 403, doi. 10.1002/qua.560420303

By:

Tang, Ming-Sheng;
Fu, Xiao-Yuan

Publication type:

Article

Implications of unitary invariance for gradient theory.

Published in:

International Journal of Quantum Chemistry, 1992, v. 42, n. 3, p. 445, doi. 10.1002/qua.560420307

By:

Jayatilaka, Dylan;
Handy, Nicholas C.

Publication type:

Article

Calculation of time autocorrelation and spectral functions using locally expanded potentials.

Published in:

International Journal of Quantum Chemistry, 1992, v. 42, n. 3, p. 365, doi. 10.1002/qua.560420302

By:

Cesar, Amary;
Ågren, Hans

Publication type:

Article

The evaluation of the hybrid one-center integrals used in the semiempirical NDDO-type methods for d-elements from spectra.

Published in:

International Journal of Quantum Chemistry, 1992, v. 42, n. 3, p. 439, doi. 10.1002/qua.560420306

By:

Zilberberg, I. L.;
Filatov, M. J.;
Zhidomirov, G. M.

Publication type:

Article

Masthead.

Published in:: International Journal of Quantum Chemistry, 1992, v. 42, n. 3, p. fmi, doi. 10.1002/qua.560420301
Publication type:: Article

Extended Gaussian-type valence basis sets for calculations involving nonempirical core pseudopotentials. II. PS-21 G Basis for Li to Ca and Ga to Kr atoms.

Published in:

International Journal of Quantum Chemistry, 1992, v. 42, n. 3, p. 509, doi. 10.1002/qua.560420312

By:

Hannachi, Y.;
Barthelat, J. C.;
Jolly, L.-H.;
Silvi, B.;
Bouteiller, Y.

Publication type:

Article

Vibronic dressed electronic states and nonadiabatic effects in polyacetylene.

Published in:

International Journal of Quantum Chemistry, 1992, v. 42, n. 3, p. 425, doi. 10.1002/qua.560420305

By:

Lü, Tian-xiong;
Tachibana, Akitomo;
Yamabe, Tokio

Publication type:

Article

Vibrational self-consistent-field approximation for triatomic molecules using hyperspherical modes with application to H<sub>2</sub>O.

Published in:

International Journal of Quantum Chemistry, 1992, v. 42, n. 3, p. 475, doi. 10.1002/qua.560420309

By:

Bastida, Adolfo;
Zúlñiga, José;
Molina, Antonio M.;
Requena, Alberto

Publication type:

Article

Electron correlation in pericyclic reactivity: A similarity approach.

Published in:

International Journal of Quantum Chemistry, 1992, v. 42, n. 3, p. 501, doi. 10.1002/qua.560420311

By:

Ponec, Robert;
Strnad, Martin

Publication type:

Article

Application of an optimization technique to the discretized version of the Griffin-Hill-Wheeler-Hartree-Fock equations.

Published in:

International Journal of Quantum Chemistry, 1992, v. 42, n. 3, p. 411, doi. 10.1002/qua.560420304

By:

Custodio, R.;
Giordan, M.;
Morgon, N. H.;
Goddard, J. D.

Publication type:

Article

Shape similarity and shape stability along reaction paths: The case of the PPO → OPP isomerization.

Published in:

International Journal of Quantum Chemistry, 1992, v. 42, n. 3, p. 459, doi. 10.1002/qua.560420308

By:

Luo, Xincai;
Arteca, Gustavo A.;
Mezey, Paul G.

Publication type:

Article