Department of Chemistry and Physics
Roderick M. Macrae
This page contains links and downloads related to my courses.
Links:
Electronic structure of atoms and molecules.
(Excellent online text from Richard Bader - first of a few online texts.)
Theoretical Chemistry (Very nice primer from Jack Simons, including full access
to a PDF version of his book - highly recommended for anyone with an interest in theory.)
The Living Textbook of Nuclear Chemistry (We don't cover this, but it's interesting.)
living book of phys chem (Everything from thermodynamics to quantum
mechanics, with great visuals - this is a really good resource.)
CAUT
Computational Chemistry Modules Index (Useful if incomplete guide to computational chemistry... look for Walsh diagrams.)
Gasteiger
Research - CORINA (Free structures! Structure generation from SMILES strings.)
Quantum Main Page (new) (Quantum mechanics with Maple... which we have here, if you want
to try these exercises out.)
Hybridization in H2
(Density difference plots.)
Electronic structures of homonuclear diatomic molecules. (Nice graphics.)
The Benzene Ring
(History of our structural knowledge of this famous molecule.)
Computational
Chemistry in the 1950s (Life was harder in those days... not that I'd know.)
Partial Grotrian diagrams of astrophysical interest. (Look at He.)
From Alchemy to Chemistry: 500 years of rare and interesting books (Crum Brown and
Werner are in here.)
The Zeeman effect.
The Fourth Quantum Number (Paper by Pauli.)
Electron and Stern-Gerlach Page (The SG experiment is harder with electrons.)
Right Experiment, Wrong Theory: The Stern-Gerlach Experiment: A Supplement to Experiment in Physics
Atomic Absorption and Emission Spectra
Periodic Table
Introduction to Model Systems(Simple quantum systems.)
Quantum Harmonic Oscillator
The Hydrogen Atom(First of several links on the H atom.)
The Hydrogen Atom Wavefunctions.
Hydrogenic Atom Wavefunctions
2.2.2 Energy levels
Wave Functions of Hydrogen Atom
Hydrogen Schrodinger Equation
Quantum Primer (History of and introduction to quantum mechanics.)
Organic Chemistry at Penn State: Quantum Primer
(Penn State primer on orbitals.)
Visual Quantum Mechanics - Sample Movies (A few sets of movies.)
Quantum Mechanics
Quantum Movies
Physics Encyclopedia: Quantum Mechanics
Quantum mechanics. Movies. MPEG. Mesoscopic. Simulation.
Vector potentials. mpg
Squier Group : Education : Physical Chemistry : Quantum Mechanics
(Various visual aids.)
Hückel program for Windoze.
Hückel program for Mac.
Character tables for chemically important point groups (Reduce representations online!)
Downloads:
Computational chemistry workshop files. (Macintosh only. Requires password.)
E-mail me at: rmacrae@saintmarys.edu
Last modified: April 4, 2002.
R. M. Macrae, a.k.a. rmacrae@saintmarys.edu