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- catalog contributor b12014694.
- catalog contributor b12014695.
- catalog created "c2000.".
- catalog date "2000".
- catalog date "c2000.".
- catalog dateCopyrighted "c2000.".
- catalog description "Computational reaction and molecular dynamics: from single systems and rigorous methods to large systems and approximate methods / Antonio Laganà and Antonio Riganelli -- Lectures -- Fitting potential energy surfaces / George C. Schatz -- Multivalued potential energy surfaces for dynamics studies / António J.C. Varandas -- Distributed approximating functionals: a robust, new approach to computational chemistry and physics / David k. Hoffman and Donald J. Kouri -- Time dependent quantum approaches to chemical reactivity / Gabriel G. Balint-Kurti -- Quantum reactive scattering for three particle systems using hyperspherical coordinates / Gregory A. Parker, Stefano Crocchianti, and Mark Keil -- Approximate time indenpendent methods for polyatomic reactions / Joel m. Bowman -- Quantum-classical methods / Gert D. Billing -- Direct calculation of reaction rates / Uwe Manthe -- CAS-SCF and MM-VB dynamics: applications to organic photochemistry /".
- catalog description "Includes bibliographical references and index.".
- catalog description "Michael A. Robb and Marco Garavelli -- Ab-initio MD calculations on dynamics and reactivity in confined and disordered systems / Aldo Gamba -- Parallel paradigms for scientific computing / Marco Vanneschi -- Networking and hypermedia in chemistry / Osvaldo Gervasi -- Tutorials -- Tutorial on fitting of potential energy surfaces / Guillermo Ochoa de Aspuru and María Luz Hernández -- Time-dependent techniques / Marlies Hankel and Valentina Piermarini -- Exact computation of reactive cross sections for atom-diatom systems. The hyperspherical propagative approach / Alessandro Bolloni, Fermin Huarte-Larrañaga, and Xavier Gimenez -- Quasiclassical trahectory study of atom diatom reactions / Ernesto Garcia -- Quantum-classical methods: a quantum-classical approache to diaton-diatom reactive scattering and VV energy transfer / Cecilia Coletti and Gert D. Billing -- Contributed papers --".
- catalog description "Resonance characterization for the Ne + H₂-NeH+ +H system: time delays and argand diagrams / Fermín Huarte-Larrañaga -- Quasiclassical trajectory study of the O(¹D)+H₂O- 2OH, H+HO₂ reactions / Ramon Sayós, Caroline Oliva, and Miguel González -- Quantum model hamiltonian to study X+YCZ₃-XY+CZ₃ reactions / Juliana Palma and David C. Clary -- Femtodynamics of double proton transfer in 7-azaindole dimer / Carmen M. Redondo and David C. Clary -- Ab initio calculations on the harpooning reaction in Ba ... FCH₃ / Hans-Hermann Ritze and Wolfgang Radloff -- Quantum dynamics of gas-phase Sn2 reactions / Stefan Schmatz and David C. Clary -- QCT study of the F + CH₄-HF+CH{209) reaction dynamics under thermal conditions / Miguel González [and others].".
- catalog extent "xi, 312 p. :".
- catalog identifier "3540412026 (softcover : alk. paper)".
- catalog isPartOf "Lecture notes in chemistry, 0342-4901 ; 75".
- catalog issued "2000".
- catalog issued "c2000.".
- catalog language "eng".
- catalog publisher "Berlin ; New York : Springer,".
- catalog subject "541.3/94/015118 21".
- catalog subject "Chemical kinetics Mathematical models Congresses.".
- catalog subject "Chemical kinetics Mathematical models.".
- catalog subject "Molecular dynamics Mathematical models Congresses.".
- catalog subject "Molecular dynamics Mathematical models.".
- catalog subject "QD502 .R43 2000".
- catalog tableOfContents "Computational reaction and molecular dynamics: from single systems and rigorous methods to large systems and approximate methods / Antonio Laganà and Antonio Riganelli -- Lectures -- Fitting potential energy surfaces / George C. Schatz -- Multivalued potential energy surfaces for dynamics studies / António J.C. Varandas -- Distributed approximating functionals: a robust, new approach to computational chemistry and physics / David k. Hoffman and Donald J. Kouri -- Time dependent quantum approaches to chemical reactivity / Gabriel G. Balint-Kurti -- Quantum reactive scattering for three particle systems using hyperspherical coordinates / Gregory A. Parker, Stefano Crocchianti, and Mark Keil -- Approximate time indenpendent methods for polyatomic reactions / Joel m. Bowman -- Quantum-classical methods / Gert D. Billing -- Direct calculation of reaction rates / Uwe Manthe -- CAS-SCF and MM-VB dynamics: applications to organic photochemistry /".
- catalog tableOfContents "Michael A. Robb and Marco Garavelli -- Ab-initio MD calculations on dynamics and reactivity in confined and disordered systems / Aldo Gamba -- Parallel paradigms for scientific computing / Marco Vanneschi -- Networking and hypermedia in chemistry / Osvaldo Gervasi -- Tutorials -- Tutorial on fitting of potential energy surfaces / Guillermo Ochoa de Aspuru and María Luz Hernández -- Time-dependent techniques / Marlies Hankel and Valentina Piermarini -- Exact computation of reactive cross sections for atom-diatom systems. The hyperspherical propagative approach / Alessandro Bolloni, Fermin Huarte-Larrañaga, and Xavier Gimenez -- Quasiclassical trahectory study of atom diatom reactions / Ernesto Garcia -- Quantum-classical methods: a quantum-classical approache to diaton-diatom reactive scattering and VV energy transfer / Cecilia Coletti and Gert D. Billing -- Contributed papers --".
- catalog tableOfContents "Resonance characterization for the Ne + H₂-NeH+ +H system: time delays and argand diagrams / Fermín Huarte-Larrañaga -- Quasiclassical trajectory study of the O(¹D)+H₂O- 2OH, H+HO₂ reactions / Ramon Sayós, Caroline Oliva, and Miguel González -- Quantum model hamiltonian to study X+YCZ₃-XY+CZ₃ reactions / Juliana Palma and David C. Clary -- Femtodynamics of double proton transfer in 7-azaindole dimer / Carmen M. Redondo and David C. Clary -- Ab initio calculations on the harpooning reaction in Ba ... FCH₃ / Hans-Hermann Ritze and Wolfgang Radloff -- Quantum dynamics of gas-phase Sn2 reactions / Stefan Schmatz and David C. Clary -- QCT study of the F + CH₄-HF+CH{209) reaction dynamics under thermal conditions / Miguel González [and others].".
- catalog title "Reaction and molecular dynamics : proceedings of the European School on Computational Chemistry, Perugia, Italy, July (1999) / A. Laganà, A. Riganelli (eds.).".
- catalog type "Conference proceedings. fast".
- catalog type "Perugia (1999) swd".
- catalog type "text".