Works matching IS 00207608 AND DT 1992 AND VI 41 AND IP 2

Results: 14

Application of the Green's function theory to the calculation of ionization potentials of model oligomeric systems.

Published in:

International Journal of Quantum Chemistry, 1992, v. 41, n. 2, p. 243, doi. 10.1002/qua.560410202

By:

Deleuze, Michaël;
Delhalle, Joseph;
André, Jean-Marie

Publication type:

Article

A molecular dynamics study of ejection of molecules from a vibrationally excited 'Track' in an amorphous solid.

Published in:

International Journal of Quantum Chemistry, 1992, v. 41, n. 2, p. 383, doi. 10.1002/qua.560410213

By:

Banerjee, Sreeparna;
Johnson, R. E.

Publication type:

Article

Theoretical calculation of electrode potentials: Electron-withdrawing compounds.

Published in:

International Journal of Quantum Chemistry, 1992, v. 41, n. 2, p. 293, doi. 10.1002/qua.560410206

By:

Lister, Simon G.;
Reynolds, Christopher A.;
Richards, W. Graham

Publication type:

Article

Masthead.

Published in:: International Journal of Quantum Chemistry, 1992, v. 41, n. 2, p. fmi, doi. 10.1002/qua.560410201
Publication type:: Article

Ewald summation retards translational motion in molecular dynamics simulation of water.

Published in:

International Journal of Quantum Chemistry, 1992, v. 41, n. 2, p. 381, doi. 10.1002/qua.560410212

By:

Teleman, Olle;
Wallqvist, Anders

Publication type:

Article

Ab initio calculations of many-body energy expansion in Li.

Published in:

International Journal of Quantum Chemistry, 1992, v. 41, n. 2, p. 281, doi. 10.1002/qua.560410205

By:

Shalabi, A. S.;
Kamel, M. A.;
Eid, Kh. M.

Publication type:

Article

Evaluation of two-center, two- and three-electron integrals involving correlation factors over Slater-type orbitals. I. Basic integrals.

Published in:

International Journal of Quantum Chemistry, 1992, v. 41, n. 2, p. 339, doi. 10.1002/qua.560410209

By:

Budziński, Jan

Publication type:

Article

Quantum chemical calculation of the barrier for tunneling of hydrogen in hydrogen abstraction from methane by methyl.

Published in:

International Journal of Quantum Chemistry, 1992, v. 41, n. 2, p. 371, doi. 10.1002/qua.560410211

By:

Chandra, Asish K.;
Malar, E. J. Padma;
Gupta, Debasis Sen

Publication type:

Article

Finite-size dimensional analysis of the superconducting vibronic interaction.

Published in:

International Journal of Quantum Chemistry, 1992, v. 41, n. 2, p. 273, doi. 10.1002/qua.560410204

By:

Tachibana, Akitomo

Publication type:

Article

On the quality of basis sets.

Published in:

International Journal of Quantum Chemistry, 1992, v. 41, n. 2, p. 327, doi. 10.1002/qua.560410208

By:

Sordo, T. L.;
Sordo, J. A.

Publication type:

Article

Evaluation of two-center, two- and three-electron integrals involving correlation factors over Slater-type orbitals. II. Kinetic and potential energy integrals and examples of numerical results.

Published in:

International Journal of Quantum Chemistry, 1992, v. 41, n. 2, p. 359, doi. 10.1002/qua.560410210

By:

Budziński, Jan;
Firszt, Mirosława;
Woźnicki, Wiesław

Publication type:

Article

Ab initio calculations of all- trans octatetraene and eight isoelectronic conjugated chains: Semiempirical heats of formation and stabilization energies.

Published in:

International Journal of Quantum Chemistry, 1992, v. 41, n. 2, p. 257, doi. 10.1002/qua.560410203

By:

Younang, Elie;
André, Jean-Marie;
Delhalle, Joseph

Publication type:

Article

Announcement.

Published in:: International Journal of Quantum Chemistry, 1992, v. 41, n. 2, p. 385, doi. 10.1002/qua.560410214
Publication type:: Article

Vector coupling coefficients for calculations of transition-metal atoms and ions by the.

Published in:

International Journal of Quantum Chemistry, 1992, v. 41, n. 2, p. 311, doi. 10.1002/qua.560410207

By:

Plakhutin, B. N.;
Zhidomirov, G. M.;
Arbuznikov, A. V.

Publication type:

Article