Works matching IS 00207608 AND DT 2002 AND VI 89 AND IP 4

Results: 26

Complex symmeterized analysis of benzene vibrations.

Published in:

International Journal of Quantum Chemistry, 2002, v. 89, n. 4, p. 292, doi. 10.1002/qua.10280

By:

Rashev, Svetoslav

Publication type:

Article

Derivation of shell effects and magic numbers in metal clusters by the application of Strutinsky's method to the Clemenger-Nilsson and q-deformed 3-D harmonic oscillator models.

Published in:

International Journal of Quantum Chemistry, 2002, v. 89, n. 4, p. 377, doi. 10.1002/qua.10291

By:

Bonatsos, D.;
Kuleff, A. I.;
Maruani, J.;
Raychev, P. P.;
Terziev, P. A.

Publication type:

Article

Improved embedded molecular cluster model.

Published in:

International Journal of Quantum Chemistry, 2002, v. 89, n. 4, p. 349, doi. 10.1002/qua.10284

By:

Shidlovskaya, E. K.

Publication type:

Article

Distributed Gaussian basis sets: Variationally optimized s-type sets for H2, LiH, and BH.

Published in:

International Journal of Quantum Chemistry, 2002, v. 89, n. 4, p. 237, doi. 10.1002/qua.10295

By:

Glushkov, V. N.;
Wilson, S.

Publication type:

Article

When, in the context of drug design, can a fluorine atom successfully substitute a hydroxyl group?

Published in:

International Journal of Quantum Chemistry, 2002, v. 89, n. 4, p. 419, doi. 10.1002/qua.10277

By:

Hoffmann, Marcin;
Rychlewski, Jacek

Publication type:

Article

A posteriori corrections to multireference limited configuration interaction based on a Brillouin-Wigner perturbative analysis.

Published in:

International Journal of Quantum Chemistry, 2002, v. 89, n. 4, p. 198, doi. 10.1002/qua.10288

By:

Hubac̆, I.;
Mach, P.;
Wilson, S.

Publication type:

Article

Formulation of Strutinsky's method for atomic systems in the extended Kohn-Sham scheme.

Published in:

International Journal of Quantum Chemistry, 2002, v. 89, n. 4, p. 217, doi. 10.1002/qua.10290

By:

Kuleff, A. I.;
Delchev, Y. I.;
Yotov, P. Tz.;
Mineva, Tz.;
Maruani, J.

Publication type:

Article

Relaxation of quantum hydrodynamic modes.

Published in:

International Journal of Quantum Chemistry, 2002, v. 89, n. 4, p. 313, doi. 10.1002/qua.10283

By:

Bittner, Eric R.;
Maddox, Jeremy B.;
Burghardt, Irene

Publication type:

Article

The Dirac equation in the algebraic approximation: VIII. Comparison of finite basis set and finite element molecular Dirac-Hartree-Fock calculations for the H2, LiH, and BH ground states.

Published in:

International Journal of Quantum Chemistry, 2002, v. 89, n. 4, p. 227, doi. 10.1002/qua.10294

By:

Quiney, H. M.;
Glushkov, V. N.;
Wilson, S.

Publication type:

Article

Is the Pauli exclusive principle an independent quantum mechanical postulate?

Published in:

International Journal of Quantum Chemistry, 2002, v. 89, n. 4, p. 268, doi. 10.1002/qua.10276

By:

Kaplan, I. G.

Publication type:

Article

Magnetic moments of hindered rotators by off-center impurity ions.

Published in:

International Journal of Quantum Chemistry, 2002, v. 89, n. 4, p. 371, doi. 10.1002/qua.10287

By:

Andreev, A.G.;
Georgiev, M.;
Mladenova, M.S.;
Krastev, V.

Publication type:

Article

Variational problem for ground and excited rovibronic states on the basis of a molecular Hamiltonian in the principal central axes.

Published in:

International Journal of Quantum Chemistry, 2002, v. 89, n. 4, p. 260, doi. 10.1002/qua.10269

By:

Tsaune, A. Y.;
Podolyak, Y. A.;
Glushkov, V. N.;
D'Yachenko, M. P.

Publication type:

Article

List of the participants.

Published in:: International Journal of Quantum Chemistry, 2002, v. 89, n. 4, p. 183, doi. 10.1002/qua.10301
Publication type:: Article

Supershells in deformed harmonic oscillators and atomic clusters.

Published in:

International Journal of Quantum Chemistry, 2002, v. 89, n. 4, p. 299, doi. 10.1002/qua.10282

By:

Bonatsos, Dennis;
Lenis, D.;
Raychev, P. P.;
Terziev, P. A.

Publication type:

Article

VB2000: Pushing valence bond theory to new limits.

Published in:

International Journal of Quantum Chemistry, 2002, v. 89, n. 4, p. 208, doi. 10.1002/qua.10293

By:

Li, Jiabo;
McWeeny, Roy

Publication type:

Article

Toward a BSSE-free description of strongly interacting systems.

Published in:

International Journal of Quantum Chemistry, 2002, v. 89, n. 4, p. 190, doi. 10.1002/qua.10286

By:

Halász, G.J.;
Vibók, Á.;
Suhai, S.;
Mayer, I.

Publication type:

Article

Existence of strictly diabatic basis sets for the two-state problem.

Published in:

International Journal of Quantum Chemistry, 2002, v. 89, n. 4, p. 255, doi. 10.1002/qua.10297

By:

Kryachko, Eugene S.;
Varandas, António J. C.

Publication type:

Article

Theoretical investigation of the Ziegler-Natta catalysis in heterogeneous conditions.

Published in:

International Journal of Quantum Chemistry, 2002, v. 89, n. 4, p. 389, doi. 10.1002/qua.10268

By:

Markovits, A.;
Minot, C.

Publication type:

Article

Theoretical study of insoluble polymer monolayers.

Published in:

International Journal of Quantum Chemistry, 2002, v. 89, n. 4, p. 397, doi. 10.1002/qua.10279

By:

Ivanova, A.;
Tadjer, A.;
Radoev, B.

Publication type:

Article

Preface: Proceedings of the Sixth European Workshop on Quantum Systems in Chemistry and Physics.

Published in:

International Journal of Quantum Chemistry, 2002, v. 89, n. 4, p. 181, doi. 10.1002/qua.10300

By:

Delchev, Yavor;
Tadjer, Alia

Publication type:

Article

Investigation of the frequency-dispersion effects on the Raman spectra of small polyenes.

Published in:

International Journal of Quantum Chemistry, 2002, v. 89, n. 4, p. 341, doi. 10.1002/qua.10270

By:

Quinet, Olivier;
Champagne, Benoît

Publication type:

Article

Vibronic polarons: Self-trapping, local rotation, and band features.

Published in:

International Journal of Quantum Chemistry, 2002, v. 89, n. 4, p. 405, doi. 10.1002/qua.10281

By:

Andreev, A. G.;
Ivanovich, M. D.;
Georgiev, M.

Publication type:

Article

Quantization on curved surfaces.

Published in:

International Journal of Quantum Chemistry, 2002, v. 89, n. 4, p. 248, doi. 10.1002/qua.10292

By:

Mladenov, Ivaïlo M.

Publication type:

Article

Charge transfer mechanism in N4+ + He and B3+ + He/H2 ion-atom/molecule collisions.

Published in:

International Journal of Quantum Chemistry, 2002, v. 89, n. 4, p. 322, doi. 10.1002/qua.10285

By:

Tergiman, Y. S.;
Fraija, F.;
Bacchus‐Montabonel, M. C.

Publication type:

Article

Mechanism of the oxidation reaction of Cu with N2O via nonadiabatic electron transfer.

Published in:

International Journal of Quantum Chemistry, 2002, v. 89, n. 4, p. 329, doi. 10.1002/qua.10296

By:

Kryachko, Eugene S.;
Tishchenko, Oksana;
Nguyen, Minh Tho

Publication type:

Article

Hyperspherical harmonics for polyatomic systems: Basis set for kinematic rotations.

Published in:

International Journal of Quantum Chemistry, 2002, v. 89, n. 4, p. 277, doi. 10.1002/qua.10278

By:

Aquilanti, Vincenzo;
Beddoni, Andrea;
Lombardi, Andrea;
Littlejohn, Robert

Publication type:

Article

Works matching IS 00207608 AND DT 2002 AND VI 89 AND IP 4

Complex symmeterized analysis of benzene vibrations.

Derivation of shell effects and magic numbers in metal clusters by the application of Strutinsky's method to the Clemenger-Nilsson and q-deformed 3-D harmonic oscillator models.

Improved embedded molecular cluster model.

Distributed Gaussian basis sets: Variationally optimized s-type sets for H<sub>2</sub>, LiH, and BH.

When, in the context of drug design, can a fluorine atom successfully substitute a hydroxyl group?

A posteriori corrections to multireference limited configuration interaction based on a Brillouin-Wigner perturbative analysis.

Formulation of Strutinsky's method for atomic systems in the extended Kohn-Sham scheme.

Relaxation of quantum hydrodynamic modes.

The Dirac equation in the algebraic approximation: VIII. Comparison of finite basis set and finite element molecular Dirac-Hartree-Fock calculations for the H<sub>2</sub>, LiH, and BH ground states.

Is the Pauli exclusive principle an independent quantum mechanical postulate?

Magnetic moments of hindered rotators by off-center impurity ions.

Variational problem for ground and excited rovibronic states on the basis of a molecular Hamiltonian in the principal central axes.

List of the participants.

Supershells in deformed harmonic oscillators and atomic clusters.

VB2000: Pushing valence bond theory to new limits.

Toward a BSSE-free description of strongly interacting systems.

Existence of strictly diabatic basis sets for the two-state problem.

Theoretical investigation of the Ziegler-Natta catalysis in heterogeneous conditions.

Theoretical study of insoluble polymer monolayers.

Preface: Proceedings of the Sixth European Workshop on Quantum Systems in Chemistry and Physics.

Investigation of the frequency-dispersion effects on the Raman spectra of small polyenes.

Vibronic polarons: Self-trapping, local rotation, and band features.

Quantization on curved surfaces.

Charge transfer mechanism in N<sup>4+</sup> + He and B<sup>3+</sup> + He/H<sub>2</sub> ion-atom/molecule collisions.

Mechanism of the oxidation reaction of Cu with N<sub>2</sub>O via nonadiabatic electron transfer.

Hyperspherical harmonics for polyatomic systems: Basis set for kinematic rotations.