Computational photochemistry: Erratum slip inserted
Gespeichert in:
| Format: | Elektronisch E-Book |
|---|---|
| Sprache: | English |
| Veröffentlicht: |
Amsterdam
Elsevier
2005
|
| Ausgabe: | 1st ed |
| Schriftenreihe: | Theoretical and computational chemistry
16 |
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Beschreibung: | Computational Photochemistry, Volume 16 provides an overview of general strategies currently used to investigate photochemical processes. Whilst contributing to establishing a branch of computational chemistry that deals with the properties and reactivity of photoexcited molecules, the book also provides insight into the conceptual and methodological research lines in computational photochemistry. Packed with examples of applications of modelling of basic photochemical reactions and the computer-aided development of novel materials in the field of photodegradation (paints), photoprotection (sunscreens), color regulation (photochromic devices) and fluorescent probes, this book is particularly useful to anyone interested in the effect of light on molecules and materials. * Provides an overview of computational photochemistry, dealing with principles and applications * Demonstrates techniques that can be used in the computer-aided design of novel photo responsive materials * Written by experts in computational photochemistry I. Computational. -- -- II. <IT>Ab initio</IT> Methods for Excited States. -- -- III. Density Functional Methods for Excited States: Equilibrium Structure and Electronic Spectra. -- IV. Electronic and Vibronic Spectra of Molecular Systems: Models and Simulations based on Quantum Chemically Computed Molecular Parameters. -- V. Semiclassical Nonadiabatic Trajectory Computations In Photochemistry: Is The Reaction Path Enough To Understand A Photochemical Reaction Mechanism? -- VI. Computation of Photochemical Reaction Mechanisms in Organic Chemistry. -- VII. Computation of Reaction Mechanisms and Dynamics in Photobiology. -- VIII. Development of Theory with Computation. -- IX. Calculation of Electronic Spectra of Transition Metal Complexes. -- -- X. Perspectives in Calculations on Excited State in Molecular Systems Includes bibliographical references and index |
| Beschreibung: | 1 Online-Ressource (1 online resource (xv, 352 p.)) |
| ISBN: | 9780444521101 0444521100 |
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| spelling | Computational photochemistry Erratum slip inserted edited by M. Olivucci 1st ed Amsterdam Elsevier 2005 1 Online-Ressource (1 online resource (xv, 352 p.)) txt rdacontent c rdamedia cr rdacarrier Theoretical and computational chemistry 16 Computational Photochemistry, Volume 16 provides an overview of general strategies currently used to investigate photochemical processes. Whilst contributing to establishing a branch of computational chemistry that deals with the properties and reactivity of photoexcited molecules, the book also provides insight into the conceptual and methodological research lines in computational photochemistry. Packed with examples of applications of modelling of basic photochemical reactions and the computer-aided development of novel materials in the field of photodegradation (paints), photoprotection (sunscreens), color regulation (photochromic devices) and fluorescent probes, this book is particularly useful to anyone interested in the effect of light on molecules and materials. * Provides an overview of computational photochemistry, dealing with principles and applications * Demonstrates techniques that can be used in the computer-aided design of novel photo responsive materials * Written by experts in computational photochemistry I. Computational. -- -- II. <IT>Ab initio</IT> Methods for Excited States. -- -- III. Density Functional Methods for Excited States: Equilibrium Structure and Electronic Spectra. -- IV. Electronic and Vibronic Spectra of Molecular Systems: Models and Simulations based on Quantum Chemically Computed Molecular Parameters. -- V. Semiclassical Nonadiabatic Trajectory Computations In Photochemistry: Is The Reaction Path Enough To Understand A Photochemical Reaction Mechanism? -- VI. Computation of Photochemical Reaction Mechanisms in Organic Chemistry. -- VII. Computation of Reaction Mechanisms and Dynamics in Photobiology. -- VIII. Development of Theory with Computation. -- IX. Calculation of Electronic Spectra of Transition Metal Complexes. -- -- X. Perspectives in Calculations on Excited State in Molecular Systems Includes bibliographical references and index Datenverarbeitung Mathematik Photochemistry / Mathematics Photochemistry / Data processing Fotochemie (DE-588)4045873-8 gnd rswk-swf Computational chemistry (DE-588)4290091-8 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, M. Sonstige oth http://www.sciencedirect.com/science/book/9780444521101 Verlag Volltext |
| spellingShingle | Computational photochemistry Erratum slip inserted Datenverarbeitung Mathematik Photochemistry / Mathematics Photochemistry / Data processing Fotochemie (DE-588)4045873-8 gnd Computational chemistry (DE-588)4290091-8 gnd |
| subject_GND | (DE-588)4045873-8 (DE-588)4290091-8 (DE-588)4143413-4 |
| title | Computational photochemistry Erratum slip inserted |
| title_auth | Computational photochemistry Erratum slip inserted |
| title_exact_search | Computational photochemistry Erratum slip inserted |
| title_full | Computational photochemistry Erratum slip inserted edited by M. Olivucci |
| title_fullStr | Computational photochemistry Erratum slip inserted edited by M. Olivucci |
| title_full_unstemmed | Computational photochemistry Erratum slip inserted edited by M. Olivucci |
| title_short | Computational photochemistry |
| title_sort | computational photochemistry erratum slip inserted |
| title_sub | Erratum slip inserted |
| topic | Datenverarbeitung Mathematik Photochemistry / Mathematics Photochemistry / Data processing Fotochemie (DE-588)4045873-8 gnd Computational chemistry (DE-588)4290091-8 gnd |
| topic_facet | Datenverarbeitung Mathematik Photochemistry / Mathematics Photochemistry / Data processing Fotochemie Computational chemistry Aufsatzsammlung |
| url | http://www.sciencedirect.com/science/book/9780444521101 |
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