Works matching IS 00207608 AND DT 1994 AND VI 52 AND IP 5

Results: 10

Quantum mechanical valence study of a bond-breaking-bond-forming process in triatomic systems.

Published in:

International Journal of Quantum Chemistry, 1994, v. 52, n. 5, p. 1153, doi. 10.1002/qua.560520504

By:

Nalewajski, Roman F.;
Formosinho, Sebastiãto J.;
Varandas, AntÓnio J.C.;
Mrozek, Janusz

Publication type:

Article

The coordination chemistry of the catalytic zinc ion in alcohol dehydrogenase studied by ab initio quantum chemical calculations.

Published in:

International Journal of Quantum Chemistry, 1994, v. 52, n. 5, p. 1229, doi. 10.1002/qua.560520508

By:

Ryde, Ulf

Publication type:

Article

Announcement.

Published in:

International Journal of Quantum Chemistry, 1994, v. 52, n. 5, p. 1247, doi. 10.1002/qua.560520510

By:

Löwdin, Per-Olov

Publication type:

Article

Evaluation of cross sections for X-ray and high-energy electron scattering from molecular systems.

Published in:

International Journal of Quantum Chemistry, 1994, v. 52, n. 5, p. 1145, doi. 10.1002/qua.560520503

By:

Wang, Jiahu;
Smith, Vedene H.

Publication type:

Article

Two types of Kramers rate equations for reactions in condensed media.

Published in:

International Journal of Quantum Chemistry, 1994, v. 52, n. 5, p. 1219, doi. 10.1002/qua.560520507

By:

Christov, S. G.

Publication type:

Article

Natural polyelectron population analysis.

Published in:

International Journal of Quantum Chemistry, 1994, v. 52, n. 5, p. 1127, doi. 10.1002/qua.560520502

By:

Parrondo, Ramóan M.;
Karafiloglou, Padeleimon;
Marcos, Enrique Sánchez

Publication type:

Article

Improved tight-binding method.

Published in:

International Journal of Quantum Chemistry, 1994, v. 52, n. 5, p. 1199, doi. 10.1002/qua.560520506

By:

Telezhkin, V. A.;
Rafalovich, A. A.

Publication type:

Article

Masthead.

Published in:: International Journal of Quantum Chemistry, 1994, v. 52, n. 5, p. fmi, doi. 10.1002/qua.560520501
Publication type:: Article

Quantum chemical simulations of hole self-trapping in semi-ionic crystals.

Published in:

International Journal of Quantum Chemistry, 1994, v. 52, n. 5, p. 1177, doi. 10.1002/qua.560520505

By:

Kantorovich, L.;
Stashans, A.;
Kotomin, E.;
Jacobs, P. W. M.

Publication type:

Article

Announcement.

Published in:: International Journal of Quantum Chemistry, 1994, v. 52, n. 5, p. 1245, doi. 10.1002/qua.560520509
Publication type:: Article