Works matching IS 00207608 AND DT 1991 AND VI 39 AND IP 6

Results: 9

MNDO calculations on borazine derivatives. The substitution of one [HNBH] fragment for one [HCCH] fragment in benzene to form the azaborines and the nature of the cyclotrimer of the 1,2-isomer.

Published in:

International Journal of Quantum Chemistry, 1991, v. 39, n. 6, p. 787, doi. 10.1002/qua.560390604

By:

Massey, Scott T.;
Zoellner, Robert W.

Publication type:

Article

Hydrogenlike atoms in uniformly charged sphere model of atomic nucleus. II. Application of basis-set expansion method.

Published in:

International Journal of Quantum Chemistry, 1991, v. 39, n. 6, p. 813, doi. 10.1002/qua.560390606

By:

Matsuoka, O.;
Fujimura, N.;
Hasegawa, T.

Publication type:

Article

Theoretical treatment of chemisorption using an Ab initio SCF Green-matrix formalism.

Published in:

International Journal of Quantum Chemistry, 1991, v. 39, n. 6, p. 839, doi. 10.1002/qua.560390608

By:

Fleck, O.;
Ladik, J.

Publication type:

Article

Hydrogenlike atoms in uniformly charged sphere model of atomic nucleus. I. Reference calculations of energy levels.

Published in:

International Journal of Quantum Chemistry, 1991, v. 39, n. 6, p. 805, doi. 10.1002/qua.560390605

By:

Hasegawa, T.;
Fujimura, N.;
Matsuoka, O.

Publication type:

Article

Approximate density matrices and Husimi functions using the maximum entropy formulation with constraints.

Published in:

International Journal of Quantum Chemistry, 1991, v. 39, n. 6, p. 823, doi. 10.1002/qua.560390607

By:

Morrison, Robert C.;
Parr, Robert G.

Publication type:

Article

A calculation of the isotropic and anisotropic spectral moments of the dipole oscillator strength distribution of N<sub>2</sub>.

Published in:

International Journal of Quantum Chemistry, 1991, v. 39, n. 6, p. 755, doi. 10.1002/qua.560390602

By:

Diercksen, G. H. F.;
Oddershede, J.;
Paidarova, I.;
Sabin, J. R.

Publication type:

Article

Masthead.

Published in:: International Journal of Quantum Chemistry, 1991, v. 39, n. 6, p. fmi, doi. 10.1002/qua.560390601
Publication type:: Article

The influence of the solvent on the conformational energy differences due to the anomeric effect.

Published in:

International Journal of Quantum Chemistry, 1991, v. 39, n. 6, p. 851, doi. 10.1002/qua.560390609

By:

Montagnani, Raffaele;
Tomasi, Jacopo

Publication type:

Article

Electronic aspects of LADH catalytic mechanism.

Published in:

International Journal of Quantum Chemistry, 1991, v. 39, n. 6, p. 767, doi. 10.1002/qua.560390603

By:

Tapia, O.;
Cardenas, R.;
Anders, J.;
Krechl, J.;
Campillo, M.;
Colonna-Cesari, F.

Publication type:

Article