Works matching IS 00207608 AND DT 2003 AND VI 92 AND IP 4

Results: 7

Heterolytic activation of C—H bond in methane with (HN=CHCH=NH)M(CH3) (M = Pd+, Pt+, Rh+, Ir+, Rh, Ir): Comparative density functional study of activation mechanisms.

Published in:

International Journal of Quantum Chemistry, 2003, v. 92, n. 4, p. 391, doi. 10.1002/qua.10525

By:

Heiberg, Hanne;
Gropen, Odd;
Swang, Ole

Publication type:

Article

Pure through-bond state in organic molecules for analysis of the relationship between intramolecular interactions and total energy.

Published in:

International Journal of Quantum Chemistry, 2003, v. 92, n. 4, p. 355, doi. 10.1002/qua.10523

By:

Orimoto, Yuuichi;
Aoki, Yuriko

Publication type:

Article

Coupled harmonic oscillator systems: Improved algebraic decoupling approach.

Published in:

International Journal of Quantum Chemistry, 2003, v. 92, n. 4, p. 345, doi. 10.1002/qua.10521

By:

Burrows, B. L.;
Cohen, M.;
Feldmann, Tova

Publication type:

Article

Theoretical study on the adsorption of aromatic compounds on platinum clusters.

Published in:

International Journal of Quantum Chemistry, 2003, v. 92, n. 4, p. 400, doi. 10.1002/qua.10520

By:

De Souza, P. R. N.;
Aranda, D. A. G.;
De M. Carneiro, J. W.;
Da S. B. De Oliveira, C.;
Antunes, O. A. C.;
Passos, F. B.

Publication type:

Article

Dipole-bound anions supported by chargetransfer interaction: Anionic states of HnF3−nN → BH3 and H3N → BHnF3−n (n = 0, 1, 2, 3).

Published in:

International Journal of Quantum Chemistry, 2003, v. 92, n. 4, p. 367, doi. 10.1002/qua.10517

By:

Sawicka, Agnieszka;
Anusiewicz, Iwona;
Skurski, Piotr;
Simons, Jack

Publication type:

Article

Application of the electron localization function to radical systems.

Published in:

International Journal of Quantum Chemistry, 2003, v. 92, n. 4, p. 381, doi. 10.1002/qua.10515

By:

Melin, Junia;
Fuentealba, P.

Publication type:

Article

Theoretical study of the low-lying electronic states of the molecular ion KRb+.

Published in:

International Journal of Quantum Chemistry, 2003, v. 92, n. 4, p. 376, doi. 10.1002/qua.10485

By:

Korek, M.;
Younes, G.;
Allouche, A. R.

Publication type:

Article

Works matching IS 00207608 AND DT 2003 AND VI 92 AND IP 4

Heterolytic activation of C—H bond in methane with (HN=CHCH=NH)M(CH<sub>3</sub>) (M = Pd<sup>+</sup>, Pt<sup>+</sup>, Rh<sup>+</sup>, Ir<sup>+</sup>, Rh, Ir): Comparative density functional study of activation mechanisms.

Pure through-bond state in organic molecules for analysis of the relationship between intramolecular interactions and total energy.

Coupled harmonic oscillator systems: Improved algebraic decoupling approach.

Theoretical study on the adsorption of aromatic compounds on platinum clusters.

Dipole-bound anions supported by chargetransfer interaction: Anionic states of H<sub>n</sub>F<sub>3−n</sub>N → BH<sub>3</sub> and H<sub>3</sub>N → BH<sub>n</sub>F<sub>3−n</sub> (n = 0, 1, 2, 3).

Application of the electron localization function to radical systems.

Theoretical study of the low-lying electronic states of the molecular ion KRb<sup>+</sup>.

Works matching IS 00207608 AND DT 2003 AND VI 92 AND IP 4

Heterolytic activation of C—H bond in methane with (HN=CHCH=NH)M(CH<sub>3</sub>) (M = Pd<sup>+</sup>, Pt<sup>+</sup>, Rh<sup>+</sup>, Ir<sup>+</sup>, Rh, Ir): Comparative density functional study of activation mechanisms.

Pure through-bond state in organic molecules for analysis of the relationship between intramolecular interactions and total energy.

Coupled harmonic oscillator systems: Improved algebraic decoupling approach.

Theoretical study on the adsorption of aromatic compounds on platinum clusters.

Dipole-bound anions supported by chargetransfer interaction: Anionic states of H<sub>n</sub>F<sub>3−n</sub>N → BH<sub>3</sub> and H<sub>3</sub>N → BH<sub>n</sub>F<sub>3−n</sub> (n = 0, 1, 2, 3).

Application of the electron localization function to radical systems.

Theoretical study of the low-lying electronic states of the molecular ion KRb<sup>+</sup>.

Dipole-bound anions supported by chargetransfer interaction: Anionic states of H<sub>n</sub>F<sub>3−n</sub>N → BH<sub>3</sub> and H<sub>3</sub>N → BH<sub>n</sub>F<sub>3−n</sub> (n = 0, 1, 2, 3).