Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters - Theoretical Exploration of Ultrafast Spectroscopy of Small Clusters Published online 21 June 2001 (English)
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In:
International journal of quantum chemistry
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84
, 6
; 714-739
;
2001
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ISSN:
- Article (Journal) / Print
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Title:Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters - Theoretical Exploration of Ultrafast Spectroscopy of Small Clusters Published online 21 June 2001
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Contributors:
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Published in:International journal of quantum chemistry ; 84, 6 ; 714-739
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Publisher:
- New search for: Wiley
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Place of publication:New York, NY
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Publication date:2001
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ISSN:
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ZDBID:
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Type of media:Article (Journal)
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Type of material:Print
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Language:English
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Source:
Table of contents – Volume 84, Issue 6
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 607
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Properties, Dynamics, and Electronic Structure of Atoms and Molecules - Linear, Cyclic, and Möbius Strip Polyacenes: The Influence of the Topology on the Size-Dependent HOMO-LUMO Energy Gap Published online 1 June 2001André, J.-M. et al. | 2001
- 607
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Linear, cyclic, and Möbius strip polyacenes: The influence of the topology on the size‐dependent HOMO–LUMO energy gapAndré, Jean‐Marie / Champagne, Benoît / Perpète, Eric A. / Guillaume, Maxime et al. | 2001
- 617
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Properties, Dynamics, and Electronic Structure of Atoms and Molecules - BSSE-Free Description of the Formamide Dimers Published online 29 May 2001Bende, A. et al. | 2001
- 617
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BSSE‐free description of the formamide dimersBende, A. / Vibók, Á. / Halász, G. J. / Suhai, S. et al. | 2001
- 623
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Properties, Dynamics, and Electronic Structure of Atoms and Molecules - Theoretical Ab Initio Study of NO and CO Depollution Reaction Catalyzed by Copper Published online 7 August 2001Bouhlel, O. et al. | 2001
- 623
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Theoretical ab initio study of NO and CO depollution reaction catalyzed by copperBouhlel, O. / Zina, M. / Boughdiri, S. / Tangour, B. et al. | 2001
- 630
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Properties, Dynamics, and Electronic Structure of Atoms and Molecules - A Study of the Molecular Structure and Spectroscopic Properties of Polycyclic Polyaza-Compounds with Diamond-Lattice Conformations Published online 1 June 2001Galasso, V. et al. | 2001
- 630
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A study of the molecular structure and spectroscopic properties of polycyclic polyaza‐compounds with diamond‐lattice conformationsGalasso, V. / Benedetti, F. / Jones, D. / Modelli, A. et al. | 2001
- 642
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Properties, Dynamics, and Electronic Structure of Atoms and Molecules - C28 (D2): Fullerene Growth Mechanism Published online 7 August 2001Mishra, R.K. et al. | 2001
- 642
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C28 (D2): Fullerene growth mechanismRama K. Mishra / Lin, Ying‐Ting / Lee, Shyi‐Long et al. | 2001
- 649
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Third‐order nonlinear optical properties of dendritic molecular aggregates: Effects of fractal architectureNakano, M. / Fujita, H. / Takahata, M. / Kiribayashi, S. / Yamaguchi, K. et al. | 2001
- 649
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Properties, Dynamics, and Electronic Structure of Atoms and Molecules - Third-Order Nonlinear Optical Properties of Dendritic Molecular Aggregates: Effects of Fractal Architecture Published online 7 August 2001Nakano, M. et al. | 2001
- 660
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Properties, Dynamics, and Electronic Structure of Atoms and Molecules - Theoretical Study of AlC3+ Published online 7 August 2001Redondo, P. et al. | 2001
- 660
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Theoretical study of AlC3+Redondo, Pilar / Largo, Antonio / García, Flor / Barrientos, Carmen et al. | 2001
- 670
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Noncollinear spin density functional theory for spin‐frustrated and spin‐degenerate systemsYamanaka, S. / Yamaki, D. / Shigeta, Y. / Nagao, H. / Yamaguchi, K. et al. | 2001
- 670
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Properties, Dynamics, and Electronic Structure of Atoms and Molecules - Noncollinear Spin Density Functional Theory for Spin-Frustrated and Spin-Degenerate Systems Published online 21 June 2001Yamanaka, S. et al. | 2001
- 677
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Selective catalytic reduction of nitric oxide with ammonia: A theoretical ab initio studyZhanpeisov, Nurbosyn U. / Higashimoto, Shinya / Anpo, Masakazu et al. | 2001
- 677
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Properties, Dynamics, and Electronic Structure of Atoms and Molecules - Selective Catalytic Reduction of Nitric Oxide with Ammonia: A Theoretical Ab Initio Study Published online 14 June 2001Zhanpeisov, N.U. et al. | 2001
- 686
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Properties, Dynamics, and Electronic Structure of Atoms and Molecules - Theoretical Study on Dependence of Hyperpolarizability of One-Dimensional Ring System on the Delocalization Transition Published online 21 June 2001Nagao, H. et al. | 2001
- 686
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Theoretical study on dependence of hyperpolarizability of one‐dimensional ring system on the delocalization transitionNagao, Hidemi / Ohta, Yasuhito / Yoshimoto, Takashi / Saito, Hiroaki / Maki, Jun / Kawabe, Hiroyuki / Ohta, Koji / Nishikawa, Kiyoshi et al. | 2001
- 694
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Properties, Dynamics, and Electronic Structure of Atoms and Molecules - Spectral Properties of Neutral Selenium and Tellurium. A Relativistic Treatment Published online 1 June 2001Lavin, C. et al. | 2001
- 694
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Spectral properties of neutral selenium and tellurium. A relativistic treatmentLavín, C. / Velasco, A. M. / Martín, I. et al. | 2001
- 705
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Theoretical study of MgO(001) surfaces: Pure, doped with Fe, Ca, and Al, and with and without adsorbed waterAlmeida, A. L. / Martins, J. B. L. / Longo, E. / Furtado, N. C. / Taft, C. A. / Sambrano, J. R. / Lester, W. A. Jr. et al. | 2001
- 705
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Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters - Theoretical Study of MgO(001) Surfaces: Pure, Doped with Fe, Ca, and Al, and with and without Adsorbed Water Published online 29 May 2001Almeida, A.L. et al. | 2001
- 714
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Theoretical exploration of ultrafast spectroscopy of small clustersBonačić‐Koutecký, V. / Hartmann, Michael / Pittner, Jiří / van Dam, Huub et al. | 2001
- 714
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Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters - Theoretical Exploration of Ultrafast Spectroscopy of Small Clusters Published online 21 June 2001Bonacic-Koutecky, V. et al. | 2001
- 740
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Reaction mechanisms between methylamine and a few Schiff bases: Ab initio potential energy surfaces of a catalytic step in semicarbazide sensitive amino oxidases (SSAO)Alagona, Giuliano / Ghio, Caterina et al. | 2001
- 740
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Theoretical Biochemistry and Biophysics - Reaction Mechanisms Between Methylamine and a Few Schiff Bases: Ab Initio Potential Energy Surfaces of a Catalytic Step in Semicarbazide Sensitive Amino Oxidases (SSAO) Published online 29 May 2001Alagona, G. et al. | 2001
- 750
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Solvent effect on DNA base stacked dimers: An isodensity polarizable continuum model approachSivanesan, D. / Subramanian, V. / Nair, B. U. et al. | 2001
- 750
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Theoretical Biochemistry and Biophysics - Solvent Effect on DNA Base Stacked Dimers: An Isodensity Polarizable Continuum Model Approach Published online 21 June 2001Sivanesan, D. et al. | 2001
- 759
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Volume Title Page| 2001
- 761
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Author Index| 2001
- 766
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Subject Index| 2001
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Volume Table of Contents| 2001