Towards a Grid Based Universal Molecular Simulator (English)
National licence
- New search for: LaganÀ, Antonio
- New search for: LaganÀ, Antonio
In:
Theory of Chemical Reaction Dynamics
;
363-380
;
2004
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ISSN:
- Article/Chapter (Book) / Electronic Resource
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Title:Towards a Grid Based Universal Molecular Simulator
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Contributors:LaganÀ, Antonio ( author )
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Published in:Theory of Chemical Reaction Dynamics ; 363-380NATO Science Series II: Mathematics, Physics and Chemistry ; 145 ; 363-380
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Publisher:
- New search for: Springer Netherlands
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Place of publication:Dordrecht
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Publication date:2004-01-01
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Size:18 pages
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ISBN:
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ISSN:
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DOI:
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Type of media:Article/Chapter (Book)
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Type of material:Electronic Resource
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Language:English
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Keywords:
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Source:
Table of contents eBook
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.
- 21
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Asymptotic Interactions Between Open Shell Partners in Low Temperature Complex Formation: The H(X2S1/2) + O2 (X3∑g−) and $$ O({}^3P_{j_O } ) + OH(X^2 \Pi _{\tilde \Omega } )$$ SystemsMaergoiz, A. I. / Nikitin, E. E. / Troe, J. / Ushakov, V. G. et al. | 2004
- 45
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Differential Cross Sections for Abstraction Reactions of Halogen Atoms with Molecular Hydrogen Including Nonadiabatic EffectsAlexander, Millard H. / Tzeng, Yi-Ren / Skouteris, Dimitris et al. | 2004
- 67
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On the Quantization of the Electronic Non-Adiabatic Coupling Terms: The H+H2 System as a Case StudyHalász, Gábor / Vibók, Ágnes / Mebel, Alexander M. / Baer, Michael et al. | 2004
- 89
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Non-Adiabatic Dynamics in the O+H2 Reaction: A Timeindependent Quantum Mechanical StudyMaiti, B. / Schatz*, G. C. et al. | 2004
- 105
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Nonadiabatic Transitions Between Asymptotically Degenerate StatesOsherov, V. I. / Ushakov, V. G. / Nakamura, H. et al. | 2004
- 129
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Coupling of Electron Momenta in Ion-Atom CollisionsSmirnov, B. M. et al. | 2004
- 149
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Time-Dependent Wavepacket Calculations for Reactive Scattering and PhotodissociationBalint-Kurti, Gabriel G. / Brown, Alex et al. | 2004
- 187
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Quantum Dynamics of Insertion ReactionsHonvault, Pascal / Launay, Jean-Michel et al. | 2004
- 217
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Chebyshev Propagation and Applications to Scattering ProblemsGuo, H. et al. | 2004
- 231
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Molecular Dynamics: Energy Selected BasesLight, John C. / Lee, Hee-Seung et al. | 2004
- 243
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Molecular Reaction Stereodynamics: In Search of Paths to Overcome Steric Hindrances to ReactivityAquilanti, Vincenzo / Pirani, Fernando / Cappelletti, David / Vecchiocattivi, Franco / Kasai, Toshio et al. | 2004
- 253
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The Rotating Bond Umbrella Model Applied to Atom-Methane ReactionsNyman, Gunnar et al. | 2004
- 279
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Reaction Dynamics of Polyatomic Systems: FROM A + BCD → AB + CD to X + YCZ3 → XY + CZ3Zhang, Dong H. / Yang, Minghui / Collins, Michael A. / Lee, Soo-Y. et al. | 2004
- 305
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Strong Acceleration of Chemical Reactions Arising Through the Effects of Rotational Excitation of Reagents on Collision GeometryMiklavc, A. et al. | 2004
- 329
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Dynamics Studies of the O(3P) + Ch4, C2H6 and C3H8 ReactionsTroya, Diego / Schatz, George C. et al. | 2004
- 349
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Quasiclassical Trajectory Studies of the Dynamics of Bimolecular Reactions of Vibrationally Highly Excited MoleculesBene, Erika / Lendvay, GyÖggy / PÓta, GyÖggy et al. | 2004
- 363
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Towards a Grid Based Universal Molecular SimulatorLaganÀ, Antonio et al. | 2004
- 381
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Vibrational Predissociation: Quasiclassical Tunneling Through Classical Chaotic SeaNikitin, E. / Troe, J. et al. | 2004
- 399
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Some Recent Advances in the Modeling of Ion-Molecule Association ReactionsTroe, J. et al. | 2004
- 413
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Vibrational Relaxation of Diatoms in Collisions with Atoms at Very Low EnergiesDashevskaya, E. I. / Nikitin, E. / Oref, I. / Troe, J. et al. | 2004
- 435
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Collisional Energy Transfer in the Gas Phase by Classical Trajectory CalculationsBernstein, V. / Oref, I. et al. | 2004
- 447
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Manipulation of Atoms and Molecules with Laser Radiation and External FieldsAuzinsh, Marcis et al. | 2004
- 467
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Photodissociation of Hydrogen Halides in a Cryogenic Rare Gas Environment: A Complex Approach to Simulations of Cluster ExperimentsSlavíček, Petr / Jungwirth, Pavel et al. | 2004