A mechanical string model of adiabatic chemical reactions:
Gespeichert in:
| 1. Verfasser: | |
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| Format: | Abschlussarbeit Buch |
| Sprache: | German |
| Veröffentlicht: |
1997
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| Schlagworte: | |
| Online-Zugang: | Inhaltsverzeichnis |
| Beschreibung: | VII, 117 S. graph. Darst. |
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| 245 | 1 | 0 | |a A mechanical string model of adiabatic chemical reactions |c eingereicht von Wolfgang Kliesch |
| 264 | 1 | |c 1997 | |
| 300 | |a VII, 117 S. |b graph. Darst. | ||
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Datensatz im Suchindex
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CONTENTS
TABLE OF NOTATIONS VII
1 INTRODUCTION 1
2 MOLECULAR SYSTEMS 7
2.1 TRANSLATION AND ROTATION OF NUCLEAR ENSEMBLES. 9
2.2 CONFIGURATION SPACE. 14
2.3 ENERGY FUNCTION.20
2.4 A MODIFIED ENERGY FUNCTION.33
3 REACTION PATH CONCEPT 37
4 A MECHANICAL STRING MODEL OF CHEMICAL REACTIONS 43
4.1 MOLECULAR DYNAMICS.43
4.2 A MODEL OF CHEMICAL REACTIONS.49
4.3 EQUILIBRIAL REACTION PATHS. 61
5 EQUILIBRIAL PATH TRACING 71
5,.L A PREDICTOR-CORRECTOR METHOD. 71
5.2 UPDATE METHODS. 74
5.3 STEPLENGTH DETERMINATION.86
5.4 A PATH TRACING PROCEDURE.87
6 APPLICATIONS 91
6.1 HYDROCYANIC ACID PES.92
6.2 FORMALDEHYDE PES.96
6.3 FORMIC ACID PES.103
BIBLIOGRAPHY 111
INDEX 116
V
BIBLIOGRAFISCHE INFORMATIONEN
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| indexdate | 2024-10-09T16:06:12Z |
| institution | BVB |
| language | German |
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| physical | VII, 117 S. graph. Darst. |
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| spelling | Kliesch, Wolfgang 1950- Verfasser (DE-588)118128620 aut A mechanical string model of adiabatic chemical reactions eingereicht von Wolfgang Kliesch 1997 VII, 117 S. graph. Darst. txt rdacontent n rdamedia nc rdacarrier Leipzig, Univ., Habil.-Schr., 1997 Adiabatischer Prozess (DE-588)4297417-3 gnd rswk-swf Mathematisches Modell (DE-588)4114528-8 gnd rswk-swf Chemische Reaktion (DE-588)4009853-9 gnd rswk-swf (DE-588)4113937-9 Hochschulschrift gnd-content Chemische Reaktion (DE-588)4009853-9 s Adiabatischer Prozess (DE-588)4297417-3 s Mathematisches Modell (DE-588)4114528-8 s DE-604 DNB Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=007979705&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Kliesch, Wolfgang 1950- A mechanical string model of adiabatic chemical reactions Adiabatischer Prozess (DE-588)4297417-3 gnd Mathematisches Modell (DE-588)4114528-8 gnd Chemische Reaktion (DE-588)4009853-9 gnd |
| subject_GND | (DE-588)4297417-3 (DE-588)4114528-8 (DE-588)4009853-9 (DE-588)4113937-9 |
| title | A mechanical string model of adiabatic chemical reactions |
| title_auth | A mechanical string model of adiabatic chemical reactions |
| title_exact_search | A mechanical string model of adiabatic chemical reactions |
| title_full | A mechanical string model of adiabatic chemical reactions eingereicht von Wolfgang Kliesch |
| title_fullStr | A mechanical string model of adiabatic chemical reactions eingereicht von Wolfgang Kliesch |
| title_full_unstemmed | A mechanical string model of adiabatic chemical reactions eingereicht von Wolfgang Kliesch |
| title_short | A mechanical string model of adiabatic chemical reactions |
| title_sort | a mechanical string model of adiabatic chemical reactions |
| topic | Adiabatischer Prozess (DE-588)4297417-3 gnd Mathematisches Modell (DE-588)4114528-8 gnd Chemische Reaktion (DE-588)4009853-9 gnd |
| topic_facet | Adiabatischer Prozess Mathematisches Modell Chemische Reaktion Hochschulschrift |
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