Molecular Symmetry, Group Theory and Applications (57P)
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Molecular Symmetry, Group Theory and Applications (57P)
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.
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.
These
lecture notes have been prepared to give an introduction into the foundations of
atomic and molecular physics with an emphasis on the interaction of these atomic systems
with light, and in more general, with electromagnetic fields. Topics covered
includes: Wave-corpuscular duality of photons and massive particles, Angular
momentum in quantum mechanics, Atomic spectra, simple models of atoms, Spin and
the fine structure, Many-body problems, systems of identical particles,
Molecular structure and spectra, Bose Einstein Condensation, Elements of
coherent atom field interactions, Atoms in Strong Fields, Photons, A quantum
paradox and the experiments.
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
This note covers the following topics: Electron Densities, Electrostatic Potentials,
Electrostatic Potential Maps, Molecular Orbitals, Molecular Orbital Maps,
Molecular Modeling Workbook.
This is one of the longest running chemistry web pages on the
internet (started in January 1996). Each month since then a new molecule has
been added to the list on this page.