The Chemical Bond - Fundamental Aspects of Chemical Bonding

Preface
 
THE PYHSICAL ORIGIN OF COVALENT BONDING
The Quest for a Physical Model of Covalent Bonding
Rigorous Basis for Conceptual Reasoning
Atoms in Molecules
The One-Electron Basis of Covalent Binding: H2+
The Effect of Electronic Interaction in the Covalent Electron Pair Bond: H2
Covalent Bonding in Molecules with More than Two Electrons: B2, C2, N2, O2, and F2
Conclusions
 
BRIDGING CULTURES
Introduction
A Short History of the MO/VB Rivalry
Mapping MO-Based Wave Functions to VB Wave Functions
Localized Bond Orbitals - A Pictorial Bridge between MO and VB Wave Functions
Block-Localized Wave Function Method
Generalized Valence Bond Theory: a Simple Bridge from VB to MOs
VB Reading of CASSCF Wave Functions
Natural Bonding Orbitals and Natural Resonance Theory - a Direct Bridge between MO and VB
The Mythical Conflict of Hybrid Orbitals with Photoelectron Spectroscopy
Conclusion
Appendix
 
THE NBO VIEW OF CHEMICAL BONDING
Introduction
Natural Bond Orbital Methods
Beyond Lewis-Like Bonding: The Donor-Acceptor Paradigm
Conclusion
 
THE EDA PERSPECTIVE OF CHEMICAL BONDING
Introduction
Basic Principles of the EDA Method
The EDA-NOCV Method
Chemical Bonding in H2 and N2
Comparison of Bonding in Isoelectronic N2, CO and BF
Bonding in the Diatomic Molecules E2 of the First Octal Row E=Li-F
Bonding in the Dihalogens F2 - I2
Carbon-Element Bonding in CH3-X
EDA-NOCV Analysis of Chemical Bonding in the Transition State
Summary and Conclusion
 
THE VALENCE BOND PERSPECTIVE OF THE CHEMICAL BOND
Introduction
A Brief Historical Recounting of the Development of the Chemical Bond Notion
The Pauling-Lewis VB Perspective of the Electron-Pair Bond
A Preamble to the Modern VB Perspective of the Electron-Pair Bond
Theoretical Characterization of Bond Types by VB and Other Methods
Trends of Bond Types Revealed by VB, AIM and ELF
Physical Origins of CS Bonding
Global Behavior of Electron-Pair Bonds
Additional

Gernot Frenking studied chemistry at the Technical University Aachen (Germany). He then became a research atudent in the group of Prof. Kenichi Fukui in Kyoto (Japan) and completed his PhD and his habilitation at Technical University Berlin (Germany). He was then a visiting scientist at the University of California, Berkeley (USA) and a staff scientist at SRI International in Menlo Park, California (USA). Since 1990 he is Professor for Computational Chemistry at the Philipps-Universität Marburg.
 
Sason Shaik is a graduate of the University of Washington (USA), where he also obtained his PhD. After a postdoctoral year at Cornell University, he became Lecturer at Ben-Gurion University of the Negev (Israel), where he became Professor in 1988. In 1992 he moved to The Hebrew University where he is Professor and the Director of the Lise Meitner-Minerva Center for Computational Quantum Chemistry.

"The two volumes would serve upper-level undergraduates who are well versed in mathematics and chemistry, but they are most suitable for graduate students, faculty, and researchers in chemistry. The exhaustive chapter references make each book a useful go-to reference source. Highly recommended. Upper-division undergraduates, graduate students, and researchers/faculty." ( Choice , 1 May 2015)