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Realistic systems part1(PDF 32p)
This note explains the following topics: d-band model, BEP line, Sabatier's principle, Volcano curve, Temperature and pressure gaps, Compensation effect and Lateral interactions.
Author(s): Karoliina Honkala, Department of Chemistry, Nanoscience Center, University of Jyvaskyla
32 Pages 
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
Lecture Notes and Instructional Material in Theoretical Chemistry
This lecture note explains a number of chapters on advanced topics in various aspects of modern theoretical chemistry. Topics covered includes: approximation methods, atomic and molecular electronic structure, molecular spectroscopy, collision theory and chemical kinetics.
Author(s): Millard H. Alexander
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