Modern methods for multidimensional dynamics computations in chemistry /:
"This volume describes many of the key practical theoretical techniques that have been developed to treat chemical dynamics problems in many-atom systems. It contains thorough treatments of fundamental theory and prescriptions for performing computations. The selection of methods, ranging from...
Gespeichert in:
| Weitere Verfasser: | |
|---|---|
| Format: | Elektronisch E-Book |
| Sprache: | English |
| Veröffentlicht: |
Singapore ; River Edge, NJ :
World Scientific,
©1998.
|
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Zusammenfassung: | "This volume describes many of the key practical theoretical techniques that have been developed to treat chemical dynamics problems in many-atom systems. It contains thorough treatments of fundamental theory and prescriptions for performing computations. The selection of methods, ranging from gas phase bimolecular reactions to complex processes in condensed phases, reflects the breadth of the field. The book is an excellent reference for proven and accepted methods as well as for theoretical approaches that are still being developed. It is appropriate for graduate students and other "novices" who wish to begin working in chemical dynamics as well as active researchers who wish to acquire a wider knowledge of the field." |
| Beschreibung: | 1 online resource (vii, 737 pages) : illustrations |
| Bibliographie: | Includes bibliographical references. |
| ISBN: | 9789812812162 9812812164 |
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| 505 | 0 | |a Computational methods for polyatomic bimolecular reactions / George C. Schatz, Marc Ter Horst, and Toshiyuki Takayanagi -- Nonadiabatic dynamics / John C. Tally -- Methods for gas-surface scattering / Bret Jackson -- Molecular dynamics methods for studying liquid interfacial phenomena / I. Benjamin -- Direct dynamics simulations of reactive systems / Kim Bolton, William L. Hose, and Gilles H. Peslherbe -- Mapping multidimensional intramolecular dynamics using frequency analysis / Jan von Milczewski and T. Uzer -- Quantum generalized Langevin equation approach to multidimensional dynamics / H. Keith McDowell -- Quantum molecular dynamics simulations of processes in large clusters: methods and applications / R.B. Gerber, P. Jungwirth, E. Fredj, and A.Y. Rom -- Theoretical investigations of chemical and physical processes under matrix isolation conditions / Lionel M. Raff -- Macromolecular dynamics / R.V. Stanton, J.L. Miller, and P.A. Kollman -- Molecular dynamics simulations of carbohydrate solvation / J.W. Brady -- Computational simulation and modeling of molecular-based materials / Bobby G. Sumpter, Robert E. Tuzun, and Donald W. Noid -- Molecular simulation of detonation / Betsy M. Rice -- Monte Carlo methods in chemistry: a tutorial / J.D. Doll and David L. Freeman -- Monte Carlo methods for rate processes / Alison J. Marks -- Testing the accuracy of practical semiclassical methods: variational transition state theory with optimized multidimensional tunneling / Thomas C. Allison and Donald G. Truhlar -- A multidimensional semiclassical approach for treating tunneling within classical trajectory simulations / Yin Guo and Donald L. Thompson. | |
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| contents | Computational methods for polyatomic bimolecular reactions / George C. Schatz, Marc Ter Horst, and Toshiyuki Takayanagi -- Nonadiabatic dynamics / John C. Tally -- Methods for gas-surface scattering / Bret Jackson -- Molecular dynamics methods for studying liquid interfacial phenomena / I. Benjamin -- Direct dynamics simulations of reactive systems / Kim Bolton, William L. Hose, and Gilles H. Peslherbe -- Mapping multidimensional intramolecular dynamics using frequency analysis / Jan von Milczewski and T. Uzer -- Quantum generalized Langevin equation approach to multidimensional dynamics / H. Keith McDowell -- Quantum molecular dynamics simulations of processes in large clusters: methods and applications / R.B. Gerber, P. Jungwirth, E. Fredj, and A.Y. Rom -- Theoretical investigations of chemical and physical processes under matrix isolation conditions / Lionel M. Raff -- Macromolecular dynamics / R.V. Stanton, J.L. Miller, and P.A. Kollman -- Molecular dynamics simulations of carbohydrate solvation / J.W. Brady -- Computational simulation and modeling of molecular-based materials / Bobby G. Sumpter, Robert E. Tuzun, and Donald W. Noid -- Molecular simulation of detonation / Betsy M. Rice -- Monte Carlo methods in chemistry: a tutorial / J.D. Doll and David L. Freeman -- Monte Carlo methods for rate processes / Alison J. Marks -- Testing the accuracy of practical semiclassical methods: variational transition state theory with optimized multidimensional tunneling / Thomas C. Allison and Donald G. Truhlar -- A multidimensional semiclassical approach for treating tunneling within classical trajectory simulations / Yin Guo and Donald L. Thompson. |
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| discipline | Chemie / Pharmazie |
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| spelling | Modern methods for multidimensional dynamics computations in chemistry / editor, Donald L. Thompson. Singapore ; River Edge, NJ : World Scientific, ©1998. 1 online resource (vii, 737 pages) : illustrations text txt rdacontent computer c rdamedia online resource cr rdacarrier Includes bibliographical references. Print version record. Computational methods for polyatomic bimolecular reactions / George C. Schatz, Marc Ter Horst, and Toshiyuki Takayanagi -- Nonadiabatic dynamics / John C. Tally -- Methods for gas-surface scattering / Bret Jackson -- Molecular dynamics methods for studying liquid interfacial phenomena / I. Benjamin -- Direct dynamics simulations of reactive systems / Kim Bolton, William L. Hose, and Gilles H. Peslherbe -- Mapping multidimensional intramolecular dynamics using frequency analysis / Jan von Milczewski and T. Uzer -- Quantum generalized Langevin equation approach to multidimensional dynamics / H. Keith McDowell -- Quantum molecular dynamics simulations of processes in large clusters: methods and applications / R.B. Gerber, P. Jungwirth, E. Fredj, and A.Y. Rom -- Theoretical investigations of chemical and physical processes under matrix isolation conditions / Lionel M. Raff -- Macromolecular dynamics / R.V. Stanton, J.L. Miller, and P.A. Kollman -- Molecular dynamics simulations of carbohydrate solvation / J.W. Brady -- Computational simulation and modeling of molecular-based materials / Bobby G. Sumpter, Robert E. Tuzun, and Donald W. Noid -- Molecular simulation of detonation / Betsy M. Rice -- Monte Carlo methods in chemistry: a tutorial / J.D. Doll and David L. Freeman -- Monte Carlo methods for rate processes / Alison J. Marks -- Testing the accuracy of practical semiclassical methods: variational transition state theory with optimized multidimensional tunneling / Thomas C. Allison and Donald G. Truhlar -- A multidimensional semiclassical approach for treating tunneling within classical trajectory simulations / Yin Guo and Donald L. Thompson. "This volume describes many of the key practical theoretical techniques that have been developed to treat chemical dynamics problems in many-atom systems. It contains thorough treatments of fundamental theory and prescriptions for performing computations. The selection of methods, ranging from gas phase bimolecular reactions to complex processes in condensed phases, reflects the breadth of the field. The book is an excellent reference for proven and accepted methods as well as for theoretical approaches that are still being developed. It is appropriate for graduate students and other "novices" who wish to begin working in chemical dynamics as well as active researchers who wish to acquire a wider knowledge of the field." Molecular dynamics Data processing. Dynamique moléculaire Informatique. SCIENCE Chemistry Computational & Molecular Modeling. bisacsh Molecular dynamics Data processing fast Thompson, Donald L. (Donald Leo) https://id.oclc.org/worldcat/entity/E39PCjwBRGd36qHMdCxjyfwDMP http://id.loc.gov/authorities/names/no98104080 has work: Modern methods for multidimensional dynamics computations in chemistry (Text) https://id.oclc.org/worldcat/entity/E39PCFQyGD3YXKGVyXv7HtV4pX https://id.oclc.org/worldcat/ontology/hasWork Print version: Modern methods for multidimensional dynamics computations in chemistry. Singapore ; River Edge, NJ : World Scientific, ©1998 9810233426 (DLC) 98223134 (OCoLC)39729832 FWS01 ZDB-4-EBA FWS_PDA_EBA https://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&AN=513991 Volltext |
| spellingShingle | Modern methods for multidimensional dynamics computations in chemistry / Computational methods for polyatomic bimolecular reactions / George C. Schatz, Marc Ter Horst, and Toshiyuki Takayanagi -- Nonadiabatic dynamics / John C. Tally -- Methods for gas-surface scattering / Bret Jackson -- Molecular dynamics methods for studying liquid interfacial phenomena / I. Benjamin -- Direct dynamics simulations of reactive systems / Kim Bolton, William L. Hose, and Gilles H. Peslherbe -- Mapping multidimensional intramolecular dynamics using frequency analysis / Jan von Milczewski and T. Uzer -- Quantum generalized Langevin equation approach to multidimensional dynamics / H. Keith McDowell -- Quantum molecular dynamics simulations of processes in large clusters: methods and applications / R.B. Gerber, P. Jungwirth, E. Fredj, and A.Y. Rom -- Theoretical investigations of chemical and physical processes under matrix isolation conditions / Lionel M. Raff -- Macromolecular dynamics / R.V. Stanton, J.L. Miller, and P.A. Kollman -- Molecular dynamics simulations of carbohydrate solvation / J.W. Brady -- Computational simulation and modeling of molecular-based materials / Bobby G. Sumpter, Robert E. Tuzun, and Donald W. Noid -- Molecular simulation of detonation / Betsy M. Rice -- Monte Carlo methods in chemistry: a tutorial / J.D. Doll and David L. Freeman -- Monte Carlo methods for rate processes / Alison J. Marks -- Testing the accuracy of practical semiclassical methods: variational transition state theory with optimized multidimensional tunneling / Thomas C. Allison and Donald G. Truhlar -- A multidimensional semiclassical approach for treating tunneling within classical trajectory simulations / Yin Guo and Donald L. Thompson. Molecular dynamics Data processing. Dynamique moléculaire Informatique. SCIENCE Chemistry Computational & Molecular Modeling. bisacsh Molecular dynamics Data processing fast |
| title | Modern methods for multidimensional dynamics computations in chemistry / |
| title_auth | Modern methods for multidimensional dynamics computations in chemistry / |
| title_exact_search | Modern methods for multidimensional dynamics computations in chemistry / |
| title_full | Modern methods for multidimensional dynamics computations in chemistry / editor, Donald L. Thompson. |
| title_fullStr | Modern methods for multidimensional dynamics computations in chemistry / editor, Donald L. Thompson. |
| title_full_unstemmed | Modern methods for multidimensional dynamics computations in chemistry / editor, Donald L. Thompson. |
| title_short | Modern methods for multidimensional dynamics computations in chemistry / |
| title_sort | modern methods for multidimensional dynamics computations in chemistry |
| topic | Molecular dynamics Data processing. Dynamique moléculaire Informatique. SCIENCE Chemistry Computational & Molecular Modeling. bisacsh Molecular dynamics Data processing fast |
| topic_facet | Molecular dynamics Data processing. Dynamique moléculaire Informatique. SCIENCE Chemistry Computational & Molecular Modeling. Molecular dynamics Data processing |
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