Works matching IS 00207608 AND DT 1973 AND VI 7 AND IP 5

Results: 20

Détermination des Orbitales Moléculaires par Minimisation Directe de L'Energie de L'Etat Fondamental et des Etats Excités des Molécules.

Published in:

International Journal of Quantum Chemistry, 1973, v. 7, n. 5, p. 945, doi. 10.1002/qua.560070509

By:

Benard, Marc;
Julg, André

Publication type:

Article

Long-range dispersion interactions involving excited atoms; The H(1 s)-H(2 s) interaction.

Published in:

International Journal of Quantum Chemistry, 1973, v. 7, n. 5, p. 877, doi. 10.1002/qua.560070505

By:

Deal, Walter J.;
Young, Ralph H.

Publication type:

Article

Modified Cartesian Gaussian functions and their use in quantum chemistry.

Published in:

International Journal of Quantum Chemistry, 1973, v. 7, n. 5, p. 1021, doi. 10.1002/qua.560070516

By:

Gołlębiewski, A.;
Mrozek, J.

Publication type:

Article

Nondiagonal second order intermolecular forces for interactions involving molecules.

Published in:

International Journal of Quantum Chemistry, 1973, v. 7, n. 5, p. 959, doi. 10.1002/qua.560070511

By:

Riera, A.;
Meath, William J.

Publication type:

Article

Optimization of molecular orbitals: Easy parametrizations of little rotations suitable for functional iteration.

Published in:

International Journal of Quantum Chemistry, 1973, v. 7, n. 5, p. 869, doi. 10.1002/qua.560070504

By:

Gianinetti, Ermanno

Publication type:

Article

Symmetry eigenfunctions suitable for many-electron theories and calculations. I. Mainly atoms.

Published in:

International Journal of Quantum Chemistry, 1973, v. 7, n. 5, p. 927, doi. 10.1002/qua.560070508

By:

Bunge, Carlos F.;
Bunge, Annik

Publication type:

Article

A configuration interaction study of the spin dipole-dipole parameters for formaldehyde and methylene.

Published in:

International Journal of Quantum Chemistry, 1973, v. 7, n. 5, p. 999, doi. 10.1002/qua.560070515

By:

Langhoff, Stephen R.;
Elbert, Stephen T.;
Davidson, Ernest R.

Publication type:

Article

The quantum theory of atoms, molecules and photons. Author: John Avery. Published by: McGraw-Hill, London, 1972. Price £5·50. No. of pages: 378.

Published in:

International Journal of Quantum Chemistry, 1973, v. 7, n. 5, p. 1037, doi. 10.1002/qua.560070519

By:

Lindner, Peter

Publication type:

Article

Errata.

Published in:

International Journal of Quantum Chemistry, 1973, v. 7, n. 5, p. 1039, doi. 10.1002/qua.560070520

By:

Goscinski, O.;
Öhrn, Y.;
Jette, A. Norman;
Lombardi, E.;
Ritter, R.;
Jansen, L.

Publication type:

Article

Interactions between molecules in the neighborhood of a long linear molecule.

Published in:

International Journal of Quantum Chemistry, 1973, v. 7, n. 5, p. 991, doi. 10.1002/qua.560070514

By:

Krizan, John E.;
Lloyd, Brian F.

Publication type:

Article

Representable reference density matrices induced by information theory.

Published in:

International Journal of Quantum Chemistry, 1973, v. 7, n. 5, p. 853, doi. 10.1002/qua.560070503

By:

Larson, Everett G.

Publication type:

Article

Gaussian orbitals optimized for lower bounds of hydrogenic atoms.

Published in:

International Journal of Quantum Chemistry, 1973, v. 7, n. 5, p. 951, doi. 10.1002/qua.560070510

By:

Johnson, J. W.;
Poshusta, R. D.

Publication type:

Article

A MO- SCF study of hydroxyl binding and hydroxyl diffusion in pure and fluorine-containing hydroxyapatite.

Published in:

International Journal of Quantum Chemistry, 1973, v. 7, n. 5, p. 905, doi. 10.1002/qua.560070507

By:

Wahlgren, Ulf;
Roos, Björn;
Forslind, Erik

Publication type:

Article

DODS and the electron gas.

Published in:

International Journal of Quantum Chemistry, 1973, v. 7, n. 5, p. 1033, doi. 10.1002/qua.560070518

By:

Rosengren, A.;
Johansson, B.

Publication type:

Article

Conjugated molecules in strong magnetic fields.

Published in:

International Journal of Quantum Chemistry, 1973, v. 7, n. 5, p. 985, doi. 10.1002/qua.560070513

By:

Labzowsky, L. N.;
Lozovik, Yu. E.

Publication type:

Article

Partitioning schemes for the 2-matrix and the pair density.

Published in:

International Journal of Quantum Chemistry, 1973, v. 7, n. 5, p. 837, doi. 10.1002/qua.560070502

By:

Morrison, Robert C.;
Smith, Darwin W.;
Larson, Everett G.

Publication type:

Article

Ab initio valence bond calculations. I. Methylene.

Published in:

International Journal of Quantum Chemistry, 1973, v. 7, n. 5, p. 893, doi. 10.1002/qua.560070506

By:

Tantardini, Gian Franco;
Raimondi, Mario;
Simonetta, Massimo

Publication type:

Article

Some remarks on Linderberg's relation.

Published in:

International Journal of Quantum Chemistry, 1973, v. 7, n. 5, p. 1029, doi. 10.1002/qua.560070517

By:

Kapur, K.;
Sane, K. V.;
Srivastava, P. K.

Publication type:

Article

Masthead.

Published in:: International Journal of Quantum Chemistry, 1973, v. 7, n. 5, p. fmi, doi. 10.1002/qua.560070501
Publication type:: Article

Effect of the exchange integral K2 s2 p on the 2 p-orbitals of the 1 P and 3 P states of the beryllium isoelectronic sequence arising from the configuration (1 s)2(2 s)(2 p).

Published in:

International Journal of Quantum Chemistry, 1973, v. 7, n. 5, p. 971, doi. 10.1002/qua.560070512

By:

Tatewaki, Hiroshi

Publication type:

Article