Works matching IS 00207608 AND DT 1989 AND VI 36 AND IP 3

Results: 23

Ab initio.

Published in:

International Journal of Quantum Chemistry, 1989, v. 36, n. 3, p. 265, doi. 10.1002/qua.560360310

By:

Karna, S. P.;
Grein, F.

Publication type:

Article

The stochastic theory and its relations to the general reaction rate theory.

Published in:

International Journal of Quantum Chemistry, 1989, v. 36, n. 3, p. 391, doi. 10.1002/qua.560360321

By:

Christov, S. G.

Publication type:

Article

Editor's preface.

Published in:: International Journal of Quantum Chemistry, 1989, v. 36, n. 3, p. 189, doi. 10.1002/qua.560360303
Publication type:: Article

Computational chemical studies of chiral stationary-phase models: The nature of the Pi interaction in complexes of methyl N-(2-naphthyl) alaninate with N-(3,5-dinitrobenzoyl)leucine n-propylamide.

Published in:

International Journal of Quantum Chemistry, 1989, v. 36, n. 3, p. 313, doi. 10.1002/qua.560360314

By:

Sabio, Michael;
Topiol, Sid

Publication type:

Article

Improved intermolecular.

Published in:

International Journal of Quantum Chemistry, 1989, v. 36, n. 3, p. 225, doi. 10.1002/qua.560360307

By:

Mayer, I.;
Surján, P. R.

Publication type:

Article

Ab-Initio.

Published in:

International Journal of Quantum Chemistry, 1989, v. 36, n. 3, p. 353, doi. 10.1002/qua.560360318

By:

Roszak, Szczepan;
Keegstra, Phillip B.;
O'neal, Douglas W.;
Hariharan, P. C.;
Kaufman, Joyce J.

Publication type:

Article

Lie algebraic approach to the scattering system H.

Published in:

International Journal of Quantum Chemistry, 1989, v. 36, n. 3, p. 379, doi. 10.1002/qua.560360320

By:

Ding, Shiliang;
Yi, Xizhang;
Deng, Conghao

Publication type:

Article

An empirical potential for interactions of large molecules: Application to binding of dipeptides to DNA.

Published in:

International Journal of Quantum Chemistry, 1989, v. 36, n. 3, p. 287, doi. 10.1002/qua.560360312

By:

Hobza, P.;
Havlas, Z.

Publication type:

Article

Theoretical study of carbonic anhydrase-catalyzed hydration of co.

Published in:

International Journal of Quantum Chemistry, 1989, v. 36, n. 3, p. 299, doi. 10.1002/qua.560360313

By:

Liang, Jiin-Yun;
Lipscomb, William N.

Publication type:

Article

Charge density by the use of the hiller-sucher-feinberg identity. Perturbative corrections and configuration interaction effects.

Published in:

International Journal of Quantum Chemistry, 1989, v. 36, n. 3, p. 213, doi. 10.1002/qua.560360306

By:

Ishida, Kazuhiro

Publication type:

Article

Potentials of an alternative scheme for ab initio polymer band structure calculations. Illustration on the chain of hydrogen atoms.

Published in:

International Journal of Quantum Chemistry, 1989, v. 36, n. 3, p. 341, doi. 10.1002/qua.560360317

By:

Fripiat, J. G.;
Delhalle, J.;
André, J. M.;
Calais, J. L.

Publication type:

Article

Masthead.

Published in:: International Journal of Quantum Chemistry, 1989, v. 36, n. 3, p. fmi, doi. 10.1002/qua.560360301
Publication type:: Article

Organizer's preface to the proceedings of the sixth international congress on quantum chemistry.

Published in:

International Journal of Quantum Chemistry, 1989, v. 36, n. 3, p. 187, doi. 10.1002/qua.560360302

By:

Jortner, Joshua

Publication type:

Article

Announcement.

Published in:: International Journal of Quantum Chemistry, 1989, v. 36, n. 3, p. 427, doi. 10.1002/qua.560360323
Publication type:: Article

Improved treatment for matrix elements of spin-dependent operators.

Published in:

International Journal of Quantum Chemistry, 1989, v. 36, n. 3, p. 201, doi. 10.1002/qua.560360305

By:

Qianer, Zhang;
Xiangzhu, Li

Publication type:

Article

Shell model calculations: An efficient new algorithm.

Published in:

International Journal of Quantum Chemistry, 1989, v. 36, n. 3, p. 325, doi. 10.1002/qua.560360316

By:

Novoselsky, Akiva;
Katriel, Jacob;
Valliègres, Michel;
Chen, Jin-Quan;
Gilmore, Robert

Publication type:

Article

The hyperfine coupling constants of.

Published in:

International Journal of Quantum Chemistry, 1989, v. 36, n. 3, p. 255, doi. 10.1002/qua.560360309

By:

Karna, S. P.;
Grein, F.;
Engels, B.;
Peyerimhoff, S. D.

Publication type:

Article

Pseudopotential investigation of some alkali metal molecules.

Published in:

International Journal of Quantum Chemistry, 1989, v. 36, n. 3, p. 277, doi. 10.1002/qua.560360311

By:

Tamássy-Lentei, I.;
Derecskei-Kovács, Á.

Publication type:

Article

Quantum mechanical calculations on vibronic activity in the MCD spectra of carbonyl compounds.

Published in:

International Journal of Quantum Chemistry, 1989, v. 36, n. 3, p. 417, doi. 10.1002/qua.560360322

By:

Marconi, Giancarlo

Publication type:

Article

On the present situation of quantum chemistry: Chairman's introductory remarks at the 6th ICQC.

Published in:

International Journal of Quantum Chemistry, 1989, v. 36, n. 3, p. 191, doi. 10.1002/qua.560360304

By:

Löwdin, Per-Olov

Publication type:

Article

Proton transfer and solitonic excitations in model one-dimensional hydrogen-bonded systems.

Published in:

International Journal of Quantum Chemistry, 1989, v. 36, n. 3, p. 319, doi. 10.1002/qua.560360315

By:

Misiak, P.;
Chojnacki, H.

Publication type:

Article

A theoretical study of protonation of triatomic silicon-carbon compounds.

Published in:

International Journal of Quantum Chemistry, 1989, v. 36, n. 3, p. 241, doi. 10.1002/qua.560360308

By:

Largo-Cabrerizo, A.;
Flores, J. R.

Publication type:

Article

A quantal approximation to the study of the collisional resonances in the NA-N.

Published in:

International Journal of Quantum Chemistry, 1989, v. 36, n. 3, p. 369, doi. 10.1002/qua.560360319

By:

Campos-Martinez, J.;
Delgado-Barrio, G.;
Villarreal, P.;
Miret-Artes, S.

Publication type:

Article