Computational photochemistry:
Gespeichert in:
| Format: | Buch |
|---|---|
| Sprache: | English |
| Veröffentlicht: |
Amsterdam [u.a.]
Elsevier
2005
|
| Ausgabe: | 1. ed. |
| Schriftenreihe: | Theoretical and computational chemistry
16 |
| Schlagworte: | |
| Online-Zugang: | Inhaltsverzeichnis |
| Beschreibung: | Includes bibliographical references and index |
| Beschreibung: | XV, 352 S. Ill., graph. Darst. |
| ISBN: | 0444521100 9780444521101 |
Internformat
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| 245 | 1 | 0 | |a Computational photochemistry |c ed. by M. Olivucci |
| 250 | |a 1. ed. | ||
| 264 | 1 | |a Amsterdam [u.a.] |b Elsevier |c 2005 | |
| 300 | |a XV, 352 S. |b Ill., graph. Darst. | ||
| 336 | |b txt |2 rdacontent | ||
| 337 | |b n |2 rdamedia | ||
| 338 | |b nc |2 rdacarrier | ||
| 490 | 1 | |a Theoretical and computational chemistry |v 16 | |
| 500 | |a Includes bibliographical references and index | ||
| 650 | 4 | |a Datenverarbeitung | |
| 650 | 4 | |a Mathematik | |
| 650 | 4 | |a Photochemistry |x Data processing | |
| 650 | 4 | |a Photochemistry |x Mathematics | |
| 650 | 0 | 7 | |a Computational chemistry |0 (DE-588)4290091-8 |2 gnd |9 rswk-swf |
| 650 | 0 | 7 | |a Fotochemie |0 (DE-588)4045873-8 |2 gnd |9 rswk-swf |
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| 689 | 0 | 1 | |a Computational chemistry |0 (DE-588)4290091-8 |D s |
| 689 | 0 | |5 DE-604 | |
| 700 | 1 | |a Olivucci, Massimo |e Sonstige |4 oth | |
| 830 | 0 | |a Theoretical and computational chemistry |v 16 |w (DE-604)BV010338492 |9 16 | |
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Datensatz im Suchindex
| _version_ | 1804134152120827904 |
|---|---|
| adam_text | Vll
Contents
Foreword by Josef Michl ix
Preface xiii
I. Computational Photochemistry
Massimo Olivucci and Adalgisa Sinicropi I
II. Ab initio Methods for Excited States
Manuela Merchan and Luis Serrano-Andres 35
HI. Density Functional Methods for Excited States: Equilibrium Structure
and Electronic Spectra
Filipp Furche and Dmitrij Rappoport 93
IV. Electronic and Vibronic Spectra of Molecular Systems: Models and
Simulations based on Quantum Chemically Computed Molecular
Parameters
Fabrizia Negri and G. Orlandi 129
V. Semiclassical Nonadiabatic Trajectory Computations In
Photochemistry: Is The Reaction Path Enough To Understand A
Photochemical Reaction Mechanism?
G. A. Worth, M. J. Bearpark and Michael A. Robb 171
VI. Computation of Photochemical Reaction Mechanisms in
Organic Chemistry
Marco Garavelli, Fernando Bernardi and A. Cembran 191
VII. Computation of Reaction Mechanisms and Dynamics in Photobiology
Seth Olsen, Alessandro Toniolo, Chaehyuk Ko, Leslie Manohar.
Kristina Lamothe, and Todd J. Martinez 225
VIII. Development of Theory with Computation
Howard Zimmerman 255
IX. Calculations of Electronic Spectra of Transition Metal Complexes
Kerstin Pierloot 279
Vlll
X. Perspectives in Calculations on Excited State in Molecular Systems
Bjorn Roos 317
Index 349
|
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| dewey-full | 541/.35/0151 |
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| dewey-ones | 541 - Physical chemistry |
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| discipline | Chemie / Pharmazie |
| edition | 1. ed. |
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| illustrated | Illustrated |
| indexdate | 2024-07-09T20:20:04Z |
| institution | BVB |
| isbn | 0444521100 9780444521101 |
| language | English |
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| physical | XV, 352 S. Ill., graph. Darst. |
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| series | Theoretical and computational chemistry |
| series2 | Theoretical and computational chemistry |
| spelling | Computational photochemistry ed. by M. Olivucci 1. ed. Amsterdam [u.a.] Elsevier 2005 XV, 352 S. Ill., graph. Darst. txt rdacontent n rdamedia nc rdacarrier Theoretical and computational chemistry 16 Includes bibliographical references and index Datenverarbeitung Mathematik Photochemistry Data processing Photochemistry Mathematics Computational chemistry (DE-588)4290091-8 gnd rswk-swf Fotochemie (DE-588)4045873-8 gnd rswk-swf (DE-588)4143413-4 Aufsatzsammlung gnd-content Fotochemie (DE-588)4045873-8 s Computational chemistry (DE-588)4290091-8 s DE-604 Olivucci, Massimo Sonstige oth Theoretical and computational chemistry 16 (DE-604)BV010338492 16 HBZ Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=013829155&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Computational photochemistry Theoretical and computational chemistry Datenverarbeitung Mathematik Photochemistry Data processing Photochemistry Mathematics Computational chemistry (DE-588)4290091-8 gnd Fotochemie (DE-588)4045873-8 gnd |
| subject_GND | (DE-588)4290091-8 (DE-588)4045873-8 (DE-588)4143413-4 |
| title | Computational photochemistry |
| title_auth | Computational photochemistry |
| title_exact_search | Computational photochemistry |
| title_full | Computational photochemistry ed. by M. Olivucci |
| title_fullStr | Computational photochemistry ed. by M. Olivucci |
| title_full_unstemmed | Computational photochemistry ed. by M. Olivucci |
| title_short | Computational photochemistry |
| title_sort | computational photochemistry |
| topic | Datenverarbeitung Mathematik Photochemistry Data processing Photochemistry Mathematics Computational chemistry (DE-588)4290091-8 gnd Fotochemie (DE-588)4045873-8 gnd |
| topic_facet | Datenverarbeitung Mathematik Photochemistry Data processing Photochemistry Mathematics Computational chemistry Fotochemie Aufsatzsammlung |
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