Dekorationsartikel gehören nicht zum Leistungsumfang.
Sprache:
Englisch
60,50 €*
Versandkostenfrei per Post / DHL
Aktuell nicht verfügbar
Kategorien:
Beschreibung
Dieses Lehrbuch hilft vor allem bei der Vermittlung grundlegender Konzepte anhand zahlreicher Beispiele aus der organischen, anorganischen und Biochemie, während die theoretischen und mathematischen Hintergründe weniger ausführlich behandelt werden.
Dieses Lehrbuch hilft vor allem bei der Vermittlung grundlegender Konzepte anhand zahlreicher Beispiele aus der organischen, anorganischen und Biochemie, während die theoretischen und mathematischen Hintergründe weniger ausführlich behandelt werden.
Über den Autor
Christopher Cramer, Professor of Computational Chemistry Department of Chemistry, University of Minnesota, Minneapolis, USA
Inhaltsverzeichnis
Preface to the First Edition.
Preface to the Second Edition.
Acknowledgments.
1. What are Theory, Computation, and Modeling?
2. Molecular Mechanics.
3. Simulations of Molecular Ensembles.
4. Foundations of Molecular Orbital Theory.
5. Semiempirical Implementations of Molecular Orbital Theory..
6. Ab Initio Implementations of Hartree-Fock Molecular Orbital.
Theory.
7. Including Electron Correlation in Molecular Orbital Theory.
8. Density Functional Theory.
9. Charge Distribution and Spectroscopic Properties.
10. Thermodynamic Properties.
11. Implicit Models for Condensed Phases.
12. Explicit Models for Condensed Phases.
13. Hybrid Quantal/Classical Models.
14. Excited Electronic States.
15. Adiabatic Reaction Dynamics.
Appendix A Acronym Glossary.
Appendix B Symmetry and Group Theory.
Appendix C Spin Algebra.
Appendix D Orbital Localization.
Preface to the Second Edition.
Acknowledgments.
1. What are Theory, Computation, and Modeling?
2. Molecular Mechanics.
3. Simulations of Molecular Ensembles.
4. Foundations of Molecular Orbital Theory.
5. Semiempirical Implementations of Molecular Orbital Theory..
6. Ab Initio Implementations of Hartree-Fock Molecular Orbital.
Theory.
7. Including Electron Correlation in Molecular Orbital Theory.
8. Density Functional Theory.
9. Charge Distribution and Spectroscopic Properties.
10. Thermodynamic Properties.
11. Implicit Models for Condensed Phases.
12. Explicit Models for Condensed Phases.
13. Hybrid Quantal/Classical Models.
14. Excited Electronic States.
15. Adiabatic Reaction Dynamics.
Appendix A Acronym Glossary.
Appendix B Symmetry and Group Theory.
Appendix C Spin Algebra.
Appendix D Orbital Localization.
Details
Erscheinungsjahr: | 2004 |
---|---|
Genre: | Chemie |
Rubrik: | Naturwissenschaften & Technik |
Medium: | Taschenbuch |
Seiten: | 624 |
Inhalt: | 618 S. |
ISBN-13: | 9780470091821 |
ISBN-10: | 0470091827 |
Sprache: | Englisch |
Herstellernummer: | 14509182000 |
Einband: | Kartoniert / Broschiert |
Autor: | Cramer, Christopher J. |
Hersteller: |
John Wiley & Sons
John Wiley & Sons Inc |
Maße: | 244 x 170 x 34 mm |
Von/Mit: | Christopher J. Cramer |
Erscheinungsdatum: | 24.09.2004 |
Gewicht: | 1,054 kg |
Über den Autor
Christopher Cramer, Professor of Computational Chemistry Department of Chemistry, University of Minnesota, Minneapolis, USA
Inhaltsverzeichnis
Preface to the First Edition.
Preface to the Second Edition.
Acknowledgments.
1. What are Theory, Computation, and Modeling?
2. Molecular Mechanics.
3. Simulations of Molecular Ensembles.
4. Foundations of Molecular Orbital Theory.
5. Semiempirical Implementations of Molecular Orbital Theory..
6. Ab Initio Implementations of Hartree-Fock Molecular Orbital.
Theory.
7. Including Electron Correlation in Molecular Orbital Theory.
8. Density Functional Theory.
9. Charge Distribution and Spectroscopic Properties.
10. Thermodynamic Properties.
11. Implicit Models for Condensed Phases.
12. Explicit Models for Condensed Phases.
13. Hybrid Quantal/Classical Models.
14. Excited Electronic States.
15. Adiabatic Reaction Dynamics.
Appendix A Acronym Glossary.
Appendix B Symmetry and Group Theory.
Appendix C Spin Algebra.
Appendix D Orbital Localization.
Preface to the Second Edition.
Acknowledgments.
1. What are Theory, Computation, and Modeling?
2. Molecular Mechanics.
3. Simulations of Molecular Ensembles.
4. Foundations of Molecular Orbital Theory.
5. Semiempirical Implementations of Molecular Orbital Theory..
6. Ab Initio Implementations of Hartree-Fock Molecular Orbital.
Theory.
7. Including Electron Correlation in Molecular Orbital Theory.
8. Density Functional Theory.
9. Charge Distribution and Spectroscopic Properties.
10. Thermodynamic Properties.
11. Implicit Models for Condensed Phases.
12. Explicit Models for Condensed Phases.
13. Hybrid Quantal/Classical Models.
14. Excited Electronic States.
15. Adiabatic Reaction Dynamics.
Appendix A Acronym Glossary.
Appendix B Symmetry and Group Theory.
Appendix C Spin Algebra.
Appendix D Orbital Localization.
Details
Erscheinungsjahr: | 2004 |
---|---|
Genre: | Chemie |
Rubrik: | Naturwissenschaften & Technik |
Medium: | Taschenbuch |
Seiten: | 624 |
Inhalt: | 618 S. |
ISBN-13: | 9780470091821 |
ISBN-10: | 0470091827 |
Sprache: | Englisch |
Herstellernummer: | 14509182000 |
Einband: | Kartoniert / Broschiert |
Autor: | Cramer, Christopher J. |
Hersteller: |
John Wiley & Sons
John Wiley & Sons Inc |
Maße: | 244 x 170 x 34 mm |
Von/Mit: | Christopher J. Cramer |
Erscheinungsdatum: | 24.09.2004 |
Gewicht: | 1,054 kg |
Warnhinweis