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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 
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
Molecular Geometries and Covalent Bonding Theories
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
54 Pages