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Free Molecular Chemistry Books

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

Molecular Chemistry Books
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Molecular Geometries and Covalent Bonding Theories

PDF | 54 Pages | English
This note covers the following topics: Molecular Shapes, What Determines the Shape of a Molecule, Valence Shell Electron Pair, Repulsion Theory, Molecular Arrangments, Lone pairs and Bond Angle, Multiple Bonds and Bond Angles, Trigonal Bipyramidal arrangment, Polarity, Overlap and Bonding, Hybrid Orbitals, Valence Bond Theory, Single Bonds, Multiple Bonds, Delocalized Electrons, Orbitals in Molecules.

 
Molecular Modeling in Undergraduate Chemistry Education

PDF | 65 Pages | English
This note covers the following topics: Electron Densities, Electrostatic Potentials, Electrostatic Potential Maps, Molecular Orbitals, Molecular Orbital Maps, Molecular Modeling Workbook.

 
Molecular Mechanics Tutorial (PDF 77P)

PDF | 77 Pages | English
This note covers the following topics: steric energy, enthalpy of formation, comparing steric energies, energy minimization, molecular dynamics, distance geometry and d to d model conversion, free energy perturbation theory (FEP), continuum solvation electrostatics, normal mode analysis, partial atomic charges.

 
Molecular Symmetry, Group Theory and Applications (57P)

PDF | 57 Pages | English
This note provides a systematic treatment of symmetry in chemical systems within the mathematical framework known as group theory. Topics covered includes: Symmetry operations and symmetry elements, Symmetry classification of molecules point groups, Symmetry and physical properties, Combining symmetry operations: group multiplication, Constructing higher groups from simpler groups, Mathematical definition of a group, Transformation matrices, Matrix representations of groups, Properties of matrix representations, Reduction of representations, Irreducible representations and symmetry species, Bonding in diatomics, Bonding in polyatomics, Molecular vibrations, Group theory and molecular electronic states.

 
The molecule of the month

Online | NA Pages | English
This is one of the longest running chemistry web pages on the internet (started in January 1996). Each month since then a new molecule has been added to the list on this page.

 
Molecular Orbital Theory (PDF 285p)

PDF | 285 Pages | English
This book was designed primarily for advanced-undergraduate and first-year graduate students as an introduction to molecular orbital theory. Topics covered includes: Atomic Orbitals, Diatomic Molecules, Electronic States of Molecules, Hybridization, Band Intensities, Triatomic Molecules, Selected Molecules with Four or More Atoms and Molecular Orbitals Involving d Valence Orbitals.

 
Molecular Electronic Structures an introduction (PDF 139P)

PDF | 139 Pages | English
This book is an introduction to molecular electronic structural theory. It is aimed at students who have reasonable familiarity with differential and integral calculus and are beginning a study of the physical description of chemical systems.

 
Stochastic Concepts in Molecular Simulation
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