Chemical Applications of Atomic and Molecular Electrostatic Potentials

Chapter 1 Introduction: The Role of the Electrostatic Potential in Chemistry

Chapter 2 Relationships between the Energies of Atoms and Molecules and the Electrostatic Potentials at Their Nuclei

Chapter 3 Correlation Energies from Hartree-Fock Electrostatic Potentials at Nuclei and Generation of Electrostatic Potentials from Asymptotic and Zero-Order Information

Chapter 4 The Bare-Nuclear Potential as Harbinger for the Electron Density in a Molecule

Chapter 5 Atomic Multipole Expansions of Molecular Charge Densities. Electrostatic Potentials

Chapter 6 Some Relationships between Different Uses of the Electrostatic Potential

Chapter 7 Electrostatic Potential of Free Molecules Derived from Electron Diffraction Results

Chapter 8 Effective Potentials for Intermediate-Energy Electron Scattering: Testing Theoretical Models

Chapter 9 Adiabatic Polarization Potentials for the Water and Nitrogen Molecules. A Comparison of Large and Small Basis Sets

Chapter 10 Energy Decomposition Analysis of Molecular Interactions

Chapter 11 The Role of the Electrostatic Potential in Modeling Hydrogen Bonding and Other Non-Covalent Interactions

Chapter 12 Use of the Electrostatic Potential as a Guide to Understanding Molecular Properties

Chapter 13 The π-Fluoro Effect: An Empirical Use of Atomic Electrostatic Potentials

Chapter 14 Electrostatic Potentials as Descriptors of Molecular Reactivity: The Basis for Some Successful Predictions of Biological Activity

Chapter 15 Electrostatic Molecular Potential Contour Maps from Ab-initio Calculations. 1. Biologically Significant Molecules. 2. Mechanism of Cationic Polymerization

Chapter 16 The Electrostatic Molecular Potential of the Nucleic Acids

Chapter 17 Ectrostatic Potentials in Crystals

Chapter 18 Pseudomolecular Electrostatic Potentials From X-Ray Diffraction Data

Chapter 19 Transition Metal Ions as Probes of the Molecular Electrostatic Potential: The Case for the Nucleic Acid Bases Cytosine and Guanine