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Theoretical Chemistry Books

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Theoretical Chemistry Books

This section contains free e-books and guides on Theoretical Chemistry, some of the resources in this section can be viewed online and some of them can be downloaded.

Maths for Chemists

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.

Author(s):

s 119Pages

Lecture notes on theoretical chemistry

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.

Author(s):

s NAPages

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):

s NAPages

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):

s 43Pages

Theoretical Chemistry I Quantum Mechanics (PDF 166p)

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.

Author(s):

s 166Pages

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):

s 32Pages

Realistic systems part2 (PDF 9p)

This note explains the following topics: Thin oxide films , Optimized adsorption geometries , Optimized transition states, Potential energy diagram, Pd versus Ni.

Author(s):

s 9Pages

An Introduction to Theoretical Chemistry

Currently this section contains no detailed description for the page, will update this page soon.

Author(s):

s NAPages

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