This page covers the following topics related to Theoretical Chemistry :
The Roles of Theory in Chemistry, The Laboratory-Theory Interface: What do
Experiments Measure?, What is Present Day Theoretical Chemistry About, chemical
kinetics, Oxidation numbers and electronegativities, Lewis acid-base concepts,
Woodward- Hoffmann rules spectroscopy, Diffusion of gases in a polymer,
Solvation of anions, Classical Newtonian Dynamics, Quantum Dynamics, Large
Biomolecules and Polymers, Mixed Classical and Quantum Dynamics, The Car-Parrinello
Method, etc.
There are already a
range of textbooks available that aim to help chemistry students develop their
mathematical knowledge and skills. This guide is not intended to replace those,
or indeed the notes provided by your lecturers and tutors, but instead it
provides an additional source of material presented in a quick reference style
allowing you to explore key mathematical ideas quickly and succinctly.
This lecture
note explains the following topics: Specific Gravity, Chemical Nomenclature And
Notation, Atoms Atomic Mass Valence, Chemical Formula, Structure Of Molecules,
Chemical Equations And Calculations, Volume And Weight Relations Op Gases, The
Periodic Law.
This note covers the following topics: Stretching Interactions,
The Force-Field, Stretch Energy, Bend Energy, Torsional Energy, van der Waals
Energy, Electrostatic Energy, Fitting Atomic Charges, The Fluctuating Charge
Model, Other Polarizable Models, Parameterizing the Force Fields and Heats of
Formation.
This note explains the following topics: Wave Mechanics, Fundamental
Concepts of Quantum Mechanics, Quantum Dynamics, Angular Momentum, Approximation
Methods, Symmetry in Quantum Mechanics, Theory of chemical bonding, Scattering
Theory and Relativistic Quantum Mechanics.