Most recent volume


Volume 19. Theoretical Aspects of Chemical Reactivity

Published: 14th November 2006 Series Volume Editor: Alejandro Toro-Labbe
Chapter 1. Chemical Reactivity and the Shape Function (P. Geerlings et al.).
Chapter 2. Density Functional Theory Models of Reactivity Based on an Energetic Criterion (A. Cedillo).
Chapter 3. The Breakdown of the Maximum Hardness and Minimum Polarizability Principles for Nontotally Symmetric Vibrations (M. Torrent-Sucarrant et al.).
Chapter 4. Classification of Control Space Parameters for Topological Studies of Reactivity and Chemical Reactions (B. Silvi et al.).
Chapter 5. Understanding and Using the Electron Localization Function (ELF) (P. Fuentealba et al.).
Chapter 6. Electronic Structure and Reactivity in Double of Rydberg Anions: Characterization of a Novel Kind of Electron Pair (J. Melin et al.).
Chapter 7. Using the Reactivity-Selectivity Descriptor &Dgrp;f(r) in Organic Chemistry (C. Morell et al.).
Chapter 8. The Average Local Ionization Energy: Concepts and Applications (P. Politzer, J.S. Murray).
Chapter 9. The Electrophilicity Index in Organic Chemistry (P. Pérez et al.).
Chapter 10. Electronic Structure and Reactivity of Aromatic Metal Clusters (P. Gonzáalez et al.).
Chapter 11. Small Gold Clusters Form Nonconventional Hydrogen Bonds X-H-Au: Gold-Water Clusters as Example (E.S. Kryachko, F. Remacle).
Chapter 12. Theoretical Design of Electronically Stabilized Molecules Containing Planar Tetracoordinate Carbons (A. Vela et al.).
Chapter 13. Chemical Reactivity Dynamics in Ground and Excited Electronic States (P.K. Chattaraj, U. Sarkar).
Chapter 14. Quantum Chemical Topology and Reactivity: A Comparative Static and Dynamic Study on a SN2 Reaction (Laurent Joubert et al.).
Chapter 15. 1,4-Dihydropyridine Calcium Channel Blockers with Electronic Descriptors Produced by Quantum Chemical Topology (U.A. Chaudry et al.).

Additional volumes


Volume 18. Nanomaterials: Design and Simulation

Published: 2nd November 2006 Editors: Perla Balbuena Jorge Seminario

Volume 17. Molecular and Nano Electronics: Analysis, Design and Simulation

Published: 24th October 2006 Editor: Jorge Seminario

Volume 16. Computational Photochemistry

Published: 20th October 2005 Editor: Massimo Olivucci

Volume 15. Computational Materials Science

Published: 19th March 2004 Series Volume Editor: Jerzy Leszczynski

Volume 14. Relativistic Electronic Structure Theory

Published: 5th March 2004 Series Volume Editor: Peter Schwerdtfeger

Volume 12. Energetic Materials

Published: 25th November 2003 Series Volume Editors: P.A. Politzer JS Murray

Volume 13. Energetic Materials

Published: 21st November 2003 Series Volume Editors: P.A. Politzer JS Murray

Volume 11. Relativistic Electronic Structure Theory - Fundamentals

Published: 22nd November 2002 Series Volume Editor: Peter Schwerdtfeger

Volume 10. Valence Bond Theory

Published: 5th June 2002 Author: David Cooper

Volume 9. Theoretical Biochemistry

Published: 19th February 2001 Author: Leif A. Eriksson

Volume 8. Computational Molecular Biology

Published: 10th June 1999 Editor: J. Leszczynski

Volume 7. Molecular Dynamics

Published: 22nd April 1999 Editors: Perla Balbuena Jorge Seminario

Volume 6. Pauling's Legacy

Published: 31st March 1999 Editors: Z.B. Maksic W.J. Orville-Thomas

Volume 5. Theoretical Organic Chemistry

Published: 9th December 1997 Editor: C. Párkányi

Volume 3. Molecular Electrostatic Potentials

Published: 22nd November 1996 Editors: J.S. Murray K. Sen

Volume 4. Recent Developments and Applications of Modern Density Functional Theory

Published: 18th November 1996 Editor: Jorge Seminario

Volume 2. Modern Density Functional Theory: A Tool For Chemistry

Published: 27th January 1995 Editors: P. Politzer Jorge Seminario

Volume 1. Quantitative Treatments of Solute/Solvent Interactions

Published: 7th December 1994 Editors: P. Politzer J.S. Murray