Analytical Chemistry Agricultural Chemistry Applied Chemistry BioChemistry Crystal Chemistry ElectroChemistry Environmental Chemistry Acid Base Chemistry General Chemistry InOrganic Chemistry Kitchen Chemistry Laboratory Chemistry Materials Chemistry BioChemistry Medicinal Chemistry Astrochemistry Books Marine Chemistry Molecular Chemistry Nuclear Chemistry Organic Chemistry OrganoMetallic Chemistry Physical Chemistry Polymer Chemistry Practical Chemistry Quantum Chemistry SpectroMetry Spectroscopy SupraMolecular Chemistry Surface Analysis Theoretical Chemistry Computational Chemistry
Lecture note on Physical Chemistry and Theoretical Chemistry
This note covers basic concepts of quantum mechanics, Many electron system, Electronic Structure of atoms and electronic structure of molecules.
Author(s): Peter G.Szalay, Eotvos Lorand University
123 Pages
Advanced Theoretical Chemistry by Jack Simons
This page covers the following topics related to Advanced Theoretical Chemistry : The Basics of Quantum Mechanics, Model Problems That Form Important Starting Points, Characteristics of Energy Surfaces, Some Important Tools of Theory, An Overview of Theoretical Chemistry, Electronic Structure, Statistical Mechanics, Chemical dynamics.
Author(s): Jack Simons, University of Utah
NA Pages
Theoretical Chemistry by Jack Simons
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.
Author(s): Jack Simons, University of Utah
NA Pages
Introduction to Molecular Mechanics by C. David Sherrill(PDF 43p)
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.
Author(s): C. David Sherrill
43 PagesAdvertisement
