Works matching IS 00207608 AND DT 1986 AND VI 30 AND IP 1

Results: 16

Investigation of the hydrogen bonds between formaldehyde and hydrogen halides by pseudopotential Ab Initio method.

Published in:

International Journal of Quantum Chemistry, 1986, v. 30, n. 1, p. 137, doi. 10.1002/qua.560300114

By:

Yanbo (Y. B. Ding), Ding;
Xiaoyuan (X. Y. Fu), Fu

Publication type:

Article

Electron density near an impurity.

Published in:

International Journal of Quantum Chemistry, 1986, v. 30, n. 1, p. 27, doi. 10.1002/qua.560300105

By:

Adawi, I.

Publication type:

Article

Unified treatment of the electronic structure of organic conjugated polymers.

Published in:

International Journal of Quantum Chemistry, 1986, v. 30, n. 1, p. 109, doi. 10.1002/qua.560300111

By:

dos Santos, M. C.;
de Melo, C. P.;
Brandi, H. S.

Publication type:

Article

The use of inner projections of the polarization propagator to study different contributions to the magnetic shielding tensor. I. Proton deshielding by steric compression.

Published in:

International Journal of Quantum Chemistry, 1986, v. 30, n. 1, p. 77, doi. 10.1002/qua.560300108

By:

Ferraro, M. B.;
Natielo, M. A.;
Contreras, R. H.

Publication type:

Article

Structures and <sup>1</sup>H-chemical shifts of conjugation deficient hydrocarbons.

Published in:

International Journal of Quantum Chemistry, 1986, v. 30, n. 1, p. 97, doi. 10.1002/qua.560300110

By:

Vogler, H.

Publication type:

Article

Composite exciton-phonon states in molecular crystals.

Published in:

International Journal of Quantum Chemistry, 1986, v. 30, n. 1, p. 7, doi. 10.1002/qua.560300103

By:

Singh, Jai

Publication type:

Article

Exciton trapping by emitting two phonons at impurities in molecular crystals.

Published in:

International Journal of Quantum Chemistry, 1986, v. 30, n. 1, p. 19, doi. 10.1002/qua.560300104

By:

Singh, Jai;
Thilagam, A.

Publication type:

Article

Usage de l'algebre de lie su( n) dans l'etude des systems à n etats. VI. Equations linéaires d'evolution positive.

Published in:

International Journal of Quantum Chemistry, 1986, v. 30, n. 1, p. 143, doi. 10.1002/qua.560300115

By:

Van Groenendael, A.

Publication type:

Article

Critical phenomena in isoelectronic diatomic sequences-the 14-electron sequence.

Published in:

International Journal of Quantum Chemistry, 1986, v. 30, n. 1, p. 51, doi. 10.1002/qua.560300107

By:

Laurenzi, Bernard J.;
Mall, Madeline F.

Publication type:

Article

Ab initio theory of hydrogen bonding in vitamin B<sub>6</sub>.

Published in:

International Journal of Quantum Chemistry, 1986, v. 30, n. 1, p. 127, doi. 10.1002/qua.560300113

By:

Greenwood, H. H.;
Plant, J. S.

Publication type:

Article

Electron transport in condensed matter. A novel approach using quantum chemical methods.

Published in:

International Journal of Quantum Chemistry, 1986, v. 30, n. 1, p. 31, doi. 10.1002/qua.560300106

By:

Larsson, Sven

Publication type:

Article

Masthead.

Published in:: International Journal of Quantum Chemistry, 1986, v. 30, n. 1, p. fmi, doi. 10.1002/qua.560300101
Publication type:: Article

The concept of the topological atom within the MO-LCAO approach. I. On the effective charge of an atom-in-molecule.

Published in:

International Journal of Quantum Chemistry, 1986, v. 30, n. 1, p. 119, doi. 10.1002/qua.560300112

By:

Proinov, E.;
Neshev, N.;
Andreev, A.

Publication type:

Article

Slater determinant from atomic form factors.

Published in:

International Journal of Quantum Chemistry, 1986, v. 30, n. 1, p. 1, doi. 10.1002/qua.560300102

By:

Frishberg, C.

Publication type:

Article

Ab initio calculations on the barrier height for the hydrogen addition to ethylene and formaldehyde. The importance of spin projection.

Published in:

International Journal of Quantum Chemistry, 1986, v. 30, n. 1, p. 155, doi. 10.1002/qua.560300116

By:

Sosa, Carlos;
Bernhard Schlegel, H.

Publication type:

Article

Correlation with independent particle orbitals.

Published in:

International Journal of Quantum Chemistry, 1986, v. 30, n. 1, p. 89, doi. 10.1002/qua.560300109

By:

Esséan, Hanno

Publication type:

Article