Works matching IS 00207608 AND DT 1985 AND VI 28 AND IP 4

Results: 10

Quantum-chemical study of the relation between electronic structure and p A<sub>2</sub> in a series of 5-substituted tryptamines.

Published in:

International Journal of Quantum Chemistry, 1985, v. 28, n. 4, p. 421, doi. 10.1002/qua.560280402

By:

Gomez-Jeria, J. S.;
Morales-Lagos, D.;
Rodriguez-Gatica, J. I.;
Saavedra-Aguilar, J. C.

Publication type:

Article

Spectral polynomials of systems with general interactions.

Published in:

International Journal of Quantum Chemistry, 1985, v. 28, n. 4, p. 481, doi. 10.1002/qua.560280406

By:

Balasubramanian, K.;
Randíc, M.

Publication type:

Article

Masthead.

Published in:: International Journal of Quantum Chemistry, 1985, v. 28, n. 4, p. fmi, doi. 10.1002/qua.560280401
Publication type:: Article

Bond length alternation in cyclic polyenes. VI. Coupled cluster approach with wannier orbital basis.

Published in:

International Journal of Quantum Chemistry, 1985, v. 28, n. 4, p. 459, doi. 10.1002/qua.560280405

By:

Takahashi, M.;
Paldus, J.

Publication type:

Article

Applicability of nondegenerate many-body perturbation theory to quasi-degenerate electronic states. II. A two-state model.

Published in:

International Journal of Quantum Chemistry, 1985, v. 28, n. 4, p. 525, doi. 10.1002/qua.560280409

By:

Wilson, S.;
Jankowski, K.;
Paldus, J.

Publication type:

Article

Effect of hubbard interaction on solitonic excitations in polyacetylene.

Published in:

International Journal of Quantum Chemistry, 1985, v. 28, n. 4, p. 451, doi. 10.1002/qua.560280404

By:

Kulkarni, Anil D.;
Alexander, S. A.;
Matsen, F. A.

Publication type:

Article

Ab initio calculations on the barrier to pseudorotation of model 2′-deoxyfuranose and 2′-deoxy-2′-fluorofuranose rings.

Published in:

International Journal of Quantum Chemistry, 1985, v. 28, n. 4, p. 517, doi. 10.1002/qua.560280408

By:

Lesyng, Bogdan;
Marck, Christian;
Guschlbauer, Wilhelm

Publication type:

Article

Least-squares numerical Rayleigh-Ritz and minimum-variance methods for molecular calculations.

Published in:

International Journal of Quantum Chemistry, 1985, v. 28, n. 4, p. 535, doi. 10.1002/qua.560280410

By:

Thole, B. T.

Publication type:

Article

Gaussian vs. Slater representations of d orbitals: An information theoretic appraisal based on both position and momentum space properties.

Published in:

International Journal of Quantum Chemistry, 1985, v. 28, n. 4, p. 429, doi. 10.1002/qua.560280403

By:

Regier, Philip E.;
Fisher, Jacob;
Sharma, B. S.;
Thakkar, Ajit J.

Publication type:

Article

Collisional transfer of rovibrational energy from quantum calculations. II. The case of LiH with He.

Published in:

International Journal of Quantum Chemistry, 1985, v. 28, n. 4, p. 499, doi. 10.1002/qua.560280407

By:

Gianturco, F. A.;
Palma, A.;
Lamanna, V. T.;
Petrella, G.

Publication type:

Article