Quantum Chemistry: Fundamentals to Applications
Autor Tamás Veszprémi, Miklós Fehéren Limba Engleză Hardback – 30 dec 1999
From the Foreword by Paul Mezey, University of Saskatchewan.
Quantum Chemistry: Fundamentals to Applications develops quantum chemistry all the way from the fundamentals, found in Part I, through the applications that make up Part II.
The applications include:
- molecular structure;
- spectroscopy;
- thermodynamics;
- chemical reactions;
- solvent effects; and
- excited state chemistry.
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Specificații
ISBN-13: 9780306461644
ISBN-10: 0306461641
Pagini: 383
Ilustrații: XX, 383 p.
Dimensiuni: 178 x 254 x 24 mm
Greutate: 0.93 kg
Ediția:1999
Editura: Springer Us
Colecția Springer
Locul publicării:New York, NY, United States
ISBN-10: 0306461641
Pagini: 383
Ilustrații: XX, 383 p.
Dimensiuni: 178 x 254 x 24 mm
Greutate: 0.93 kg
Ediția:1999
Editura: Springer Us
Colecția Springer
Locul publicării:New York, NY, United States
Public țintă
ResearchDescriere
`Quantum Chemistry [the branch of Computational Chemistry that applies the laws of Quantum Mechanics to chemical systems] is one of the most dynamic fields of contemporary chemistry, providing a solid foundation for all of chemistry, and serving as the basis for practical, computational methodologies with applications in virtually all branches of chemistry ... The increased sophistication, accuracy and scope of the theory of chemistry are due to a large extent to the spectacular development of quantum chemistry, and in this book the authors have made a remarkable effort to provide a modern account of the field.'
From the Foreword by Paul Mezey, University of Saskatchewan.
Quantum Chemistry: Fundamentals to Applications develops quantum chemistry all the way from the fundamentals, found in Part I, through the applications that make up Part II.
The applications include:
From the Foreword by Paul Mezey, University of Saskatchewan.
Quantum Chemistry: Fundamentals to Applications develops quantum chemistry all the way from the fundamentals, found in Part I, through the applications that make up Part II.
The applications include:
- molecular structure;
- spectroscopy;
- thermodynamics;
- chemical reactions;
- solvent effects; and
- excited state chemistry.
Cuprins
Foreword. Preface. Part I: The Fundaments. 1. The Fundamentals of Group Theory. 2. The Postulates of Quantum Mechanics. 3. Playing with the Schrödinger Equation. 4. Quantum Chemistry: A Hierarchy of Approximations. 5. Methods of Approximation. 6. The Hartree-Fock Method and Its Consequences. 7. Beyond the Hartree-Fock Method. 8. The Theory of Electron Density. 9. Semiempirical Methods. Part II: Applications. 10. Molecular Structure. 11. Vibrational Frequencies. 12. Thermodynamic Properties. 13. Properties Related to Electron Density. 14. Chemical Reactions. 15. Calculations on Liquids and Solids. 16. Molecular Dynamics Simulations. 17. Ions and Excited Electronic States. Appendix: I. The Basis of Linear Algebra. II. Selected Character Tables. III. Units. IV. 99 Recent Books in Quantum Chemistry.