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Molecular Symmetry, Group Theory and Applications (57P)
This note provides a systematic treatment of symmetry in chemical systems within the mathematical framework known as group theory. Topics covered includes: Symmetry operations and symmetry elements, Symmetry classification of molecules – point groups, Symmetry and physical properties, Combining symmetry operations: group multiplication, Constructing higher groups from simpler groups, Mathematical definition of a group, Transformation matrices, Matrix representations of groups, Properties of matrix representations, Reduction of representations, Irreducible representations and symmetry species, Bonding in diatomics, Bonding in polyatomics, Molecular vibrations, Group theory and molecular electronic states.
Author(s): Claire Vallance
57 Pages 
This note explains the following topics:The Interaction between two Molecules, Interaction of Macroscopic Bodies, The Effective Interaction between two Molecules, Electrostatic Forces.
Author(s): Gunnar Karlstrom and Bo Jonsson
70 Pages
Molecular Modeling Lecture Notes
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.
Author(s): Jay Ponder
NA Pages