This note explains the
following topics: Atoms, Molecules, and Ions, Electronic Structure and Periodic
Properties of Elements, Chemical Bonding and Molecular Geometry, Advanced
Theories of Bonding, Composition of Substances and Solutions, Stoichiometry of
Chemical Reactions, Gases, Thermochemistry, Liquids and Solids, solutions and
Colloids, Thermodynamics, Fundamental Equilibrium Concepts, Acid-Base Equilibria,
Equilibria of Other Reaction Classes, Electrochemistry, Kinetics, Representative
Metals, Metalloids, and Nonmetals, Transition Metals and Coordination Chemistry,
Nuclear Chemistry.
Author(s): Klaus
Theopold, Richard Langley, Edward J. Neth, Paul Flowers
This note explains the
following topics:The Interaction between two Molecules, Interaction of
Macroscopic Bodies, The Effective Interaction between two Molecules,
Electrostatic Forces.
Recent evolutions in nanosciences and
nanotechnologies provide strong arguments to support the opportunity and
importance of the topics approached in this book, the fundamental and
applicative aspects related to molecular interactions being of large interest in
both research and innovative environments. We expect this book to have a strong
impact at various education and research training levels, for young and
experienced researchers from both academia and industry.
This lecture note explores a wide range of techniques and applications in
molecular modeling and computational chemistry. Topics covered includes: ab
Initio and Semi-Empirical Quantum Mechanics, Molecular Mechanics and Dynamics
Simulation, Electrostatics, Coarse Graining Biomolecular Structure Prediction,
Advanced Electrostatics for Force Fields, Molecular Dynamics Simulation, Monte
Carlo Methods.
This note covers the following topics: Electron Densities, Electrostatic Potentials,
Electrostatic Potential Maps, Molecular Orbitals, Molecular Orbital Maps,
Molecular Modeling Workbook.
This book was designed primarily for advanced-undergraduate and
first-year graduate students as an introduction to molecular orbital theory.
Topics covered includes: Atomic Orbitals, Diatomic Molecules, Electronic States
of Molecules, Hybridization, Band Intensities, Triatomic Molecules, Selected
Molecules with Four or More Atoms and Molecular Orbitals Involving d Valence
Orbitals.
This book is an introduction to molecular electronic structural
theory. It is aimed at students who have reasonable familiarity with
differential and integral calculus and are beginning a study of the physical
description of chemical systems.