Works matching IS 00207608 AND DT 2003 AND VI 93 AND IP 4

Results: 7

Is the FeC−3 cluster linear? Theoretical study of the equilibrium structure and bonding of FeC−3.

Published in:

International Journal of Quantum Chemistry, 2003, v. 93, n. 4, p. 275, doi. 10.1002/qua.10568

By:

Cao, Zexing;
Zhang, Qianer

Publication type:

Article

Simple model to study some properties of H trapped in solids.

Published in:

International Journal of Quantum Chemistry, 2003, v. 93, n. 4, p. 271, doi. 10.1002/qua.10565

By:

Marin, J. L.;
Campoy, G.;
Riera, R.

Publication type:

Article

Tunneling dynamics of a double-well oscillator: Effects of barrier fluctuation and thermal modulation (This article is dedicated to Prof. Mihir Chowdhury on the happy occasion of his reaching 65.).

Published in:

International Journal of Quantum Chemistry, 2003, v. 93, n. 4, p. 280, doi. 10.1002/qua.10563

By:

Saha, Aparna;
Sarkar, Pranab

Publication type:

Article

Time-dependent density functional theory calculations on the chiroptical properties of rubroflavin: Determination of its absolute configuration by comparison of measured and calculated CD spectra.

Published in:

International Journal of Quantum Chemistry, 2003, v. 93, n. 4, p. 265, doi. 10.1002/qua.10559

By:

Wang, Yuekui;
Raabe, Gerhard;
Repges, Charlotte;
Fleischhauer, Jörg

Publication type:

Article

Spin preference in twenty-valence electron systems of form XCCY.

Published in:

International Journal of Quantum Chemistry, 2003, v. 93, n. 4, p. 286, doi. 10.1002/qua.10558

By:

Trindle, Carl

Publication type:

Article

Quantum chemical study on enantioselective reduction of keto oxime ether with borane catalyzed by oxazaborolidine. Part 2. Structures of catalyst-alkoxyborane adduct with a four-membered ring and succeeding reaction intermediates.

Published in:

International Journal of Quantum Chemistry, 2003, v. 93, n. 4, p. 294, doi. 10.1002/qua.10534

By:

Li, Ming;
Zheng, Wenxu;
He, Rongxing;
Tian, Anmin

Publication type:

Article

Quantum chemical study on enantioselective reduction of keto oxime ether with borane catalyzed by oxazaborolidine. Part 3. Properties of intermediates during hydride transfer.

Published in:

International Journal of Quantum Chemistry, 2003, v. 93, n. 4, p. 307, doi. 10.1002/qua.10533

By:

Li, Ming;
Zheng, Wenxu;
Tian, Anmin

Publication type:

Article

Works matching IS 00207608 AND DT 2003 AND VI 93 AND IP 4

Is the FeC<sup>−</sup><sub>3</sub> cluster linear? Theoretical study of the equilibrium structure and bonding of FeC<sup>−</sup><sub>3</sub>.

Simple model to study some properties of H trapped in solids.

Tunneling dynamics of a double-well oscillator: Effects of barrier fluctuation and thermal modulation (This article is dedicated to Prof. Mihir Chowdhury on the happy occasion of his reaching 65.).

Time-dependent density functional theory calculations on the chiroptical properties of rubroflavin: Determination of its absolute configuration by comparison of measured and calculated CD spectra.

Spin preference in twenty-valence electron systems of form XCCY.

Quantum chemical study on enantioselective reduction of keto oxime ether with borane catalyzed by oxazaborolidine. Part 2. Structures of catalyst-alkoxyborane adduct with a four-membered ring and succeeding reaction intermediates.

Quantum chemical study on enantioselective reduction of keto oxime ether with borane catalyzed by oxazaborolidine. Part 3. Properties of intermediates during hydride transfer.