Theory and application of quantum molecular dynamics:
Gespeichert in:
| 1. Verfasser: | |
|---|---|
| Format: | Elektronisch E-Book |
| Sprache: | English |
| Veröffentlicht: |
Singapore
World Scientific
c1999
|
| Schlagworte: | |
| Online-Zugang: | FAW01 FAW02 Volltext |
| Beschreibung: | Includes bibliographical references (p. 345-358) and index 1 - Separation of Electronic and Nuclear Motions -- - 2 - Ab initio Theory for Electrons -- - 3 - Rovibrational Motions of Molecules -- - 4 - Fundamental Theory of Quantum Scattering -- - 5 - Time-Independent Approach to Reactive Scattering -- - 6 - Time-Dependent Approach to Reactive Scattering -- - 7 - State-to-State Reactive Scattering -- - 8 - Dynamics of Chemical Reactions -- - 9 - Photon Induced Molecular Processes -- - 10 - Molecular Reactions on Surfaces -- - 11 - Semiclassical Descriptions of Quantum Mechanics -- - App. A. - Orthogonal Polynomials and Special Functions -- - App. B. - Gaussian Quadrature -- - App. C. - Clebsch-Gordon Coefficients -- - App. D. - Space-Fixed and Body-Fixed Frames This book provides a detailed presentation of modern quantum theories for treating the reaction dynamics of small molecular systems. Its main focus is on the recent development of successful quantum dynamics theories and computational methods for studying the molecular reactive scattering process, with specific applications given in detail for a number of benchmark chemical reaction systems in the gas phase and the gas surface. The book is intended for the reader to not only understand molecular reaction dynamics from the fundamental scattering theory, but also to utilize the described computational methodologies in their practical applications. It will be of benefit to graduate students and researchers in the field of chemical physics |
| Beschreibung: | 1 Online-Ressource (xiv, 366 p.) |
| ISBN: | 9789810233884 9789812839718 9810233884 9812839712 |
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Datensatz im Suchindex
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|---|---|
| any_adam_object | |
| author | Zhang, John Z. H. |
| author_facet | Zhang, John Z. H. |
| author_role | aut |
| author_sort | Zhang, John Z. H. |
| author_variant | j z h z jzh jzhz |
| building | Verbundindex |
| bvnumber | BV043130923 |
| collection | ZDB-4-EBA |
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| dewey-full | 541.2/8 |
| dewey-hundreds | 500 - Natural sciences and mathematics |
| dewey-ones | 541 - Physical chemistry |
| dewey-raw | 541.2/8 |
| dewey-search | 541.2/8 |
| dewey-sort | 3541.2 18 |
| dewey-tens | 540 - Chemistry and allied sciences |
| discipline | Chemie / Pharmazie |
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| id | DE-604.BV043130923 |
| illustrated | Not Illustrated |
| indexdate | 2024-07-10T07:18:23Z |
| institution | BVB |
| isbn | 9789810233884 9789812839718 9810233884 9812839712 |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-028555114 |
| oclc_num | 841171993 |
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| owner | DE-1046 DE-1047 |
| owner_facet | DE-1046 DE-1047 |
| physical | 1 Online-Ressource (xiv, 366 p.) |
| psigel | ZDB-4-EBA ZDB-4-EBA FAW_PDA_EBA |
| publishDate | 1999 |
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| publisher | World Scientific |
| record_format | marc |
| spelling | Zhang, John Z. H. Verfasser aut Theory and application of quantum molecular dynamics John Zeng Hui Zhang Singapore World Scientific c1999 1 Online-Ressource (xiv, 366 p.) txt rdacontent c rdamedia cr rdacarrier Includes bibliographical references (p. 345-358) and index 1 - Separation of Electronic and Nuclear Motions -- - 2 - Ab initio Theory for Electrons -- - 3 - Rovibrational Motions of Molecules -- - 4 - Fundamental Theory of Quantum Scattering -- - 5 - Time-Independent Approach to Reactive Scattering -- - 6 - Time-Dependent Approach to Reactive Scattering -- - 7 - State-to-State Reactive Scattering -- - 8 - Dynamics of Chemical Reactions -- - 9 - Photon Induced Molecular Processes -- - 10 - Molecular Reactions on Surfaces -- - 11 - Semiclassical Descriptions of Quantum Mechanics -- - App. A. - Orthogonal Polynomials and Special Functions -- - App. B. - Gaussian Quadrature -- - App. C. - Clebsch-Gordon Coefficients -- - App. D. - Space-Fixed and Body-Fixed Frames This book provides a detailed presentation of modern quantum theories for treating the reaction dynamics of small molecular systems. Its main focus is on the recent development of successful quantum dynamics theories and computational methods for studying the molecular reactive scattering process, with specific applications given in detail for a number of benchmark chemical reaction systems in the gas phase and the gas surface. The book is intended for the reader to not only understand molecular reaction dynamics from the fundamental scattering theory, but also to utilize the described computational methodologies in their practical applications. It will be of benefit to graduate students and researchers in the field of chemical physics SCIENCE / Chemistry / Physical & Theoretical bisacsh Chemical kinetics fast Molecular dynamics fast Quantum chemistry fast Chemie Quantum chemistry Molecular dynamics Chemical kinetics Reaktionsdynamik (DE-588)4301792-7 gnd rswk-swf Reaktionskinetik (DE-588)4048655-2 gnd rswk-swf Quantenchemie (DE-588)4047979-1 gnd rswk-swf Molekulardynamik (DE-588)4170370-4 gnd rswk-swf Reaktionskinetik (DE-588)4048655-2 s Reaktionsdynamik (DE-588)4301792-7 s Quantenchemie (DE-588)4047979-1 s 1\p DE-604 Molekulardynamik (DE-588)4170370-4 s 2\p DE-604 http://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&db=nlabk&AN=564722 Aggregator Volltext 1\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk 2\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk |
| spellingShingle | Zhang, John Z. H. Theory and application of quantum molecular dynamics SCIENCE / Chemistry / Physical & Theoretical bisacsh Chemical kinetics fast Molecular dynamics fast Quantum chemistry fast Chemie Quantum chemistry Molecular dynamics Chemical kinetics Reaktionsdynamik (DE-588)4301792-7 gnd Reaktionskinetik (DE-588)4048655-2 gnd Quantenchemie (DE-588)4047979-1 gnd Molekulardynamik (DE-588)4170370-4 gnd |
| subject_GND | (DE-588)4301792-7 (DE-588)4048655-2 (DE-588)4047979-1 (DE-588)4170370-4 |
| title | Theory and application of quantum molecular dynamics |
| title_auth | Theory and application of quantum molecular dynamics |
| title_exact_search | Theory and application of quantum molecular dynamics |
| title_full | Theory and application of quantum molecular dynamics John Zeng Hui Zhang |
| title_fullStr | Theory and application of quantum molecular dynamics John Zeng Hui Zhang |
| title_full_unstemmed | Theory and application of quantum molecular dynamics John Zeng Hui Zhang |
| title_short | Theory and application of quantum molecular dynamics |
| title_sort | theory and application of quantum molecular dynamics |
| topic | SCIENCE / Chemistry / Physical & Theoretical bisacsh Chemical kinetics fast Molecular dynamics fast Quantum chemistry fast Chemie Quantum chemistry Molecular dynamics Chemical kinetics Reaktionsdynamik (DE-588)4301792-7 gnd Reaktionskinetik (DE-588)4048655-2 gnd Quantenchemie (DE-588)4047979-1 gnd Molekulardynamik (DE-588)4170370-4 gnd |
| topic_facet | SCIENCE / Chemistry / Physical & Theoretical Chemical kinetics Molecular dynamics Quantum chemistry Chemie Reaktionsdynamik Reaktionskinetik Quantenchemie Molekulardynamik |
| url | http://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&db=nlabk&AN=564722 |
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