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 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: Molecular Shapes, What
Determines the Shape of a Molecule, Valence Shell Electron Pair, Repulsion
Theory, Molecular Arrangments, Lone pairs and Bond Angle, Multiple Bonds and
Bond Angles, Trigonal Bipyramidal arrangment, Polarity, Overlap and Bonding,
Hybrid Orbitals, Valence Bond Theory, Single Bonds, Multiple Bonds, Delocalized
Electrons, Orbitals in Molecules.
Author(s): Prof. Geiger, Michigan State
University