Theory and application of quantum molecular dynamics:
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, w...
Gespeichert in:
| 1. Verfasser: | |
|---|---|
| Format: | Elektronisch E-Book |
| Sprache: | English |
| Veröffentlicht: |
Singapore
World Scientific Pub. Co.
c1999
|
| Schlagworte: | |
| Online-Zugang: | FHN01 URL des Erstveroeffentlichers |
| Zusammenfassung: | 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. In contrast to traditional books on collision in physics focusing on abstract theory for nonreactive scattering, this book deals with both the development and the application of the modern reactive or rearrangement scattering theory, and is written in a fashion in which the development of the reactive scattering theory is closely coupled with its computational aspects for practical applications for realistic molecular reactions. The volume includes such topics as methods for calculating rovibrational states of molecules, fundamental quantum theory for scattering (nonreactive and reactive), modern time-independent computational methods for reactive scattering, general time-dependent wave packet methods for reactive scattering, dynamics theory of chemical reactions, dynamics of molecular fragmentation, semiclassical description of quantum mechanics, and also some useful appendices.The book is intended for the reader to not only understand the molecular reaction dynamics from the fundamental scattering theory, but also utilize the provided computational methodologies in their practical applications. It should benefit graduate students and researchers in the field of chemical physics |
| Beschreibung: | xiv, 366 p. ill |
| ISBN: | 9789812839718 |
Internformat
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| 520 | |a 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. In contrast to traditional books on collision in physics focusing on abstract theory for nonreactive scattering, this book deals with both the development and the application of the modern reactive or rearrangement scattering theory, and is written in a fashion in which the development of the reactive scattering theory is closely coupled with its computational aspects for practical applications for realistic molecular reactions. The volume includes such topics as methods for calculating rovibrational states of molecules, fundamental quantum theory for scattering (nonreactive and reactive), modern time-independent computational methods for reactive scattering, general time-dependent wave packet methods for reactive scattering, dynamics theory of chemical reactions, dynamics of molecular fragmentation, semiclassical description of quantum mechanics, and also some useful appendices.The book is intended for the reader to not only understand the molecular reaction dynamics from the fundamental scattering theory, but also utilize the provided computational methodologies in their practical applications. It should benefit graduate students and researchers in the field of chemical physics | ||
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Datensatz im Suchindex
| _version_ | 1804178052529258496 |
|---|---|
| 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 | BV044637227 |
| classification_rvk | VE 5650 |
| collection | ZDB-124-WOP |
| ctrlnum | (ZDB-124-WOP)00004616 (OCoLC)1012715670 (DE-599)BVBBV044637227 |
| 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 |
| format | Electronic eBook |
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| id | DE-604.BV044637227 |
| illustrated | Not Illustrated |
| indexdate | 2024-07-10T07:57:50Z |
| institution | BVB |
| isbn | 9789812839718 |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-030035197 |
| oclc_num | 1012715670 |
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| physical | xiv, 366 p. ill |
| psigel | ZDB-124-WOP ZDB-124-WOP FHN_PDA_WOP |
| publishDate | 1999 |
| publishDateSearch | 1999 |
| publishDateSort | 1999 |
| publisher | World Scientific Pub. Co. |
| record_format | marc |
| spelling | Zhang, John Z. H. Verfasser aut Theory and application of quantum molecular dynamics John Zeng Hui Zhang Singapore World Scientific Pub. Co. c1999 xiv, 366 p. ill txt rdacontent c rdamedia cr rdacarrier 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. In contrast to traditional books on collision in physics focusing on abstract theory for nonreactive scattering, this book deals with both the development and the application of the modern reactive or rearrangement scattering theory, and is written in a fashion in which the development of the reactive scattering theory is closely coupled with its computational aspects for practical applications for realistic molecular reactions. The volume includes such topics as methods for calculating rovibrational states of molecules, fundamental quantum theory for scattering (nonreactive and reactive), modern time-independent computational methods for reactive scattering, general time-dependent wave packet methods for reactive scattering, dynamics theory of chemical reactions, dynamics of molecular fragmentation, semiclassical description of quantum mechanics, and also some useful appendices.The book is intended for the reader to not only understand the molecular reaction dynamics from the fundamental scattering theory, but also utilize the provided computational methodologies in their practical applications. It should benefit graduate students and researchers in the field of chemical physics Quantum chemistry Molecular dynamics Chemical kinetics Molekulardynamik (DE-588)4170370-4 gnd rswk-swf Quantenchemie (DE-588)4047979-1 gnd rswk-swf Reaktionskinetik (DE-588)4048655-2 gnd rswk-swf Reaktionsdynamik (DE-588)4301792-7 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 Erscheint auch als Druck-Ausgabe 9789810233884 Erscheint auch als Druck-Ausgabe 9810233884 http://www.worldscientific.com/worldscibooks/10.1142/3713#t=toc Verlag URL des Erstveroeffentlichers 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 Quantum chemistry Molecular dynamics Chemical kinetics Molekulardynamik (DE-588)4170370-4 gnd Quantenchemie (DE-588)4047979-1 gnd Reaktionskinetik (DE-588)4048655-2 gnd Reaktionsdynamik (DE-588)4301792-7 gnd |
| subject_GND | (DE-588)4170370-4 (DE-588)4047979-1 (DE-588)4048655-2 (DE-588)4301792-7 |
| 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 | Quantum chemistry Molecular dynamics Chemical kinetics Molekulardynamik (DE-588)4170370-4 gnd Quantenchemie (DE-588)4047979-1 gnd Reaktionskinetik (DE-588)4048655-2 gnd Reaktionsdynamik (DE-588)4301792-7 gnd |
| topic_facet | Quantum chemistry Molecular dynamics Chemical kinetics Molekulardynamik Quantenchemie Reaktionskinetik Reaktionsdynamik |
| url | http://www.worldscientific.com/worldscibooks/10.1142/3713#t=toc |
| work_keys_str_mv | AT zhangjohnzh theoryandapplicationofquantummoleculardynamics |