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Oxford University Press - Online Resource Centres

Atkins, de Paula & Friedman: Physical Chemistry: Quanta, Matter, and Change 2e

Focus 9

Databases

CRC Handbook of Chemistry and Physics
www.hbcpnetbase.com/
Data may be accessed after purchasing a personal or institutional subscription.

NIST Chemistry Webbook
http://webbook.nist.gov/chemistry/
Contains databases of electronic and vibrational spectra.

Tutorials

Beer-Lambert Law
http://teaching.shu.ac.uk/hwb/chemistry/tutorials/molspec/beers1.htm
Intoduction to the Beer-Lambert law.

Moment of Inertia
http://hyperphysics.phy-astr.gsu.edu/hbase/mi.html
More like a summary on the key points on moments of inertia.

Molecular Spectroscopy
www.cartage.org.lb/en/themes/Sciences/Physics/MolecularPhysics/MolecularSpectra/MolecularSpectroscopy/MolecularSpectroscopy.htm
This site has good diagrams to accompany explanations.

Molecular Rotational Spectroscopy
http://192.207.64.1/somsak/2302633/2302633-Chapter3-6.pdf
A lecture handout on rotational spectroscopy of a diatomic molecule and a linear polyatomic molecule.

Rotational Raman Spectroscopy
http://physchem.ox.ac.uk/~hmc/tlab/605/html/introduction01.htm
Online practical on rotational raman spectroscopy with interactive applets showing J+2 and J-2 lines, changes with temperature, centrifugal distortion and gives labels for all the lines.

Fluorescence Spectroscopy
http://phys.educ.ksu.edu/vqm/html/fluorescence.html
Interactive fluorescence spectroscopic graph (requires plugin download).

MALDI-TOF
www.abrf.org/ABRFNews/1997/June1997/jun97lennon.html
MALDI-TOF mass spectrometry.

Electronic Spectroscopy of Diatomic Molecules
http://bernath.uwaterloo.ca/media/DiatomicElectronic.pdf
Extensive tutorial covering electronic spectroscopy

Software

ComSpec3D
www2.ccc.uni-erlangen.de/services/vrmlvib/vib_intro.html
Interactive software that simulates the infrared absorption and Raman scattering spectra of molecules containing main group elements.

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 server, but the WebMO interface allows for users to generate input and obtain output from any networked computer. Depending on the capability of the server application, vibrational and electronic spectra may be simulated.

Online Programs for Spectroscopy
www.spec-online.de/
Interactive aids for interpretation of IR and NMR spectra of organic compounds.

Spectroscopic Simulator
http://chemcollective.org/activities/simulations/spectro
Simulation of rotational-vibrational spectra of diatomic molecules.