Atkins, de Paula & Friedman: Quanta, Matter, and Change
Chapter 05
Databases
CRC Handbook of Chemistry and Physics
www.hbcpnetbase.com/
Data may be accessed after purchasing a personal or institutional subscription.
Tutorials
Hückel Theory
www.chem.qmul.ac.uk/software/download/mo/6.pdf
A short tutorial on Hückel theory.
Molecular orbitals for polyatomic systems
www.chemistry.mcmaster.ca/esam/Chapter_8/section_6.html
Molecular orbitals for polyatomic systems.
Photoelectron Spectroscopy
www.chem.qmul.ac.uk/surfaces/scc/scat5_3.htm
Explains how Photoelectron Spectroscopy works.
Software
SHMO - Simple Hückel MO Theory Calculator
www.chem.ucalgary.ca/SHMO/
Freeware that performs Hückel molecular orbital calculations with a simple graphical user interface.
WebMO
www.webmo.net
Freeware that provides a graphical user interface for popular electronic structure software (such as GAUSSIAN, GAMESS, and MOPAC). The computational engine must run on a UNIX or Linux server, but the WebMO interface allows for users to generate input and obtain output from any networked computer.


