Most recent volume

Volume 19. Theoretical Aspects of Chemical Reactivity

Published: 14th November 2006
Theoretical Aspects of Chemical Reactivity provides a broad overview of recent theoretical and computational advancements in the field of chemical reactivity. Contributions have been made by a number of leaders in the field covering theoretical developments to applications in molecular systems and clusters. With an increase in the use of reactivity descriptors, and fundamental theoretical aspects becoming more challenging, this volume serves as an interesting overview where traditional concepts are revisited and explored from new viewpoints, and new varieties of reactivity descriptors are proposed. Includes applications in the frontiers of reactivity principles, and introduces dynamic and statistical viewpoints to chemical reactivity and challenging traditional concepts such as aromaticity.

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

Volume 14. Relativistic Electronic Structure Theory

Published: 5th March 2004

Volume 13. Energetic Materials

Published: 21st November 2003

Volume 12. Energetic Materials

Published: 25th November 2003

Volume 11. Relativistic Electronic Structure Theory - Fundamentals

Published: 22nd November 2002

Volume 10. Valence Bond Theory

Published: 5th June 2002 Author: David Cooper

Volume 9. Theoretical Biochemistry - Processes and Properties of Biological Systems

Published: 19th February 2001 Author: L.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 4. Recent Developments and Applications of Modern Density Functional Theory

Published: 18th November 1996 Editor: Jorge Seminario

Volume 3. Molecular Electrostatic Potentials

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

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