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.
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 note is intended for graduate
students who specialize in computational or theoretical quantum chemistry. Its
goal is to have students acquire skills essential for developing new computational methodologies broadly applicable to atomic, molecular, solid-state
chemistry.
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.
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.