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 Spectra and Molecular StructureMIT OpenCourseWareOnline
| NA Pages
The goal of
this note is to illustrate how molecular structure is extracted from a spectrum.
Topics covered includes: Atoms, Diatomic Molecules , All Tricks In Molecular
Structure Theory, Born-oppenheimer, Transition Intensities For Diatomics,
Electronic Structure Models, Polyatomic Molecules.
Molecular Modeling Lecture NotesJay
| NA Pages
This lecture note explores a wide range of techniques and applications in
molecular modeling and computational chemistry. Topics covered includes: ab
Initio and Semi-Empirical Quantum Mechanics, Molecular Mechanics and Dynamics
Simulation, Electrostatics, Coarse Graining Biomolecular Structure Prediction,
Advanced Electrostatics for Force Fields, Molecular Dynamics Simulation, Monte
Molecular Geometries and Covalent Bonding TheoriesProf. Geiger, Michigan State
| 54 Pages
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 EducationWarren J. Hehre and
Alan J. ShustermanPDF
| 65 Pages
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)Thomas
W. Shattuck, Department of Chemistry, Colby CollegePDF
| 77 Pages
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)Claire
| 57 Pages
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 monthPaul
| NA Pages
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)Carl Ballhausen,
| 285 Pages
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
Molecular Electronic Structures an introduction (PDF 139P)Carl J. Ballhausen,
Harry B. GrayPDF
| 139 Pages
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.