This lecture
note set deals with basic issues in theoretical chemistry, such as specific
gravity, chemical nomenclature, atomic structure, and chemical bonding. The set
focuses on fundamental concepts in molecular chemistry, such as chemical
equations, the periodic law, and behavior of gases. The purpose is to develop a
robust understanding of the core topics from which deeper study is pursued in
theoretical chemistry, serving as an introduction for students at all levels.
It
describes in detail the role of theory in chemistry. Key concepts covered
include chemical kinetics, oxidation numbers, electronegativity, and application
of various theoretical methods like quantum dynamics and classical Newtonian
dynamics. This note also underlines the importance of an interface between the
laboratory and theory inasmuch as experimental measurements interact with the
theoretical models. It discusses advanced topics such as mixed classical and
quantum dynamics, the Car-Parrinello method, and their applications to large
biomolecules and polymers, giving insight into the scope and methods used in
modern theoretical chemistry.
This is an all-inclusive PDF note on an introduction to quantum mechanics
in theoretical chemistry. Major concepts introduced are wave mechanics, quantum
dynamics, and angular momentum. The material under study includes approximation
methods and symmetry in quantum mechanics, which forms the key for molecular
behavior. The theory of chemical bonding, scattering theory, and relativistic
quantum mechanics were also considered. This note provides students with a
comprehensive exposure to the role that quantum mechanics plays in the
explanation of chemical phenomena and provides a foundation for more
sophisticated theoretical studies in chemistry.