Atkins & de Paula: Physical Chemistry for the Life Sciences 
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Answers to exercisesAtkins & de Paula: Physical Chemistry for the Life Sciences
Part III (Chapters 9-12)
Databases
Harvard-Smithsonian Center for Astrophysics Atomic & Molecular Databases cfa-www.harvard.edu/amdata/ampdata/amdata.shtml
Compilation of data and other links of interest to spectroscopists and astrophysicists.
IBM Scanning Tunneling Microscopy Image Gallery www.almaden.ibm.com/vis/stm/gallery.html
An entertaining and useful resource.
NIST Atomic Spectra Database physics.nist.gov/cgi-bin/AtData/main_asd
This is NIST Standard Reference Database #78. The spectroscopic data may be displayed according to wavelengths or energy levels.
NIST Ground Levels and Ionization Energies for Neutral Atoms physics.nist.gov/PhysRefData/IonEnergy/ionEnergy.html
Compilation of the currently accepted values of ground state and ionization energies of neutral atoms. These data inform semi-empirical atomic and molecular orbital calculations.
WebElements Periodic Table of the Elements www.webelements.com/webelements/scholar/index.html
Interactive periodic table of the elements, with extensive tabulation of physical and chemical properties.
CRC Handbook of Chemistry and Physics www.hbcpnetbase.com
, Sections 5, 6, 10, 12, and 13. Data may be accessed after purchasing a personal or institutional subscription.
Database of Macromolecular Movements bioinfo.mbb.yale.edu/MolMovDB
A collection of movies describing motions in proteins and other macromolecules. Also available are freeware and server-based tools for structural analysis.
LIPIDAT www.lipidat.ul.ie
A database of thermodynamic properties of lipids.
NDB ndbserver.rutgers.edu/NDB
A database of nucleic acid structures.
RCSB Protein Data Bank www.rcsb.org/pdb
A database of structures of proteins obtained by X-ray diffraction or NMR spectroscopy. For best viewing of the three-dimensional structures, install a molecular visualization plug-in (such as MDL Chime: www.symyx.com/support/developer/chime, Protein Explorer: www.umass.edu/microbio/chime/explorer/index.htm, or RasMol: www.umass.edu/microbio/rasmol).
Software
ArgusLab www.planaria-software.com
Freeware that performs molecular orbital calculations. It features a reasonably powerful graphical user interface.
SHMO - Simple Huckel 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.
CORINA www2.chemie.uni-erlangen.de/software/corina/free_struct.html
Interactive molecule builder and energy minimizer.
MDL Chime www.symyx.com/support/developer/chime/
A free browser plug-in for molecular visualization.
PredictProtein www.predictprotein.org
A web-based service for prediction of protein structures.
Protein Explorer www.umass.edu/microbio/chime/explorer/index.htm
A free browser plug-in for molecular visualization, based on RasMol.
RasMolwww.umass.edu/microbio/rasmol
A free browser plug-in for molecular visualization.
Virtual Molecular Dynamics Laboratory http://polymer.bu.edu/vmd/Software/index.html
A collection of free programs and interactive Java applets.
X-Ray Diffraction Simulatorneon.mems.cmu.edu/degraef/xray
Freeware with a graphical user interface for simulation of x-ray powder diffraction of two-dimensional crystals.
Tutorials
Absorption spectra of gases phys.educ.ksu.edu/vqm/html/absorption.html
Interactive simulation of absorption of gases. Requires the Shockwave plug-in.
Emission spectra of gases phys.educ.ksu.edu/vqm/html/emission.html
Interactive simulation of absorption of gases. Requires the Shockwave plug-in.
Microscopy Primer micro.magnet.fsu.edu/primer/index.html
A very useful tutorial on the principles and latest biological applications of microscopy.
PhysicsWeb Interactive Experiments Virtual Laboratory physicsweb.org/resources/Education/Interactive_experiments
A collection of interactive applets on essential concepts of classical and modern physics. Of relevance to this chapter are the applets on wave motion, single-slit diffraction, electron diffraction, time-dependent Schrödinger equation, Schrödinger wave equation simulation and the Stern-Gerlach experiment.
Models of Solids Based on Crystal Structures www.geo.ucalgary.ca/~tmenard/crystal/crystal.html
This tutorial on the structures of several mineral groups requires the MDL Chime plug-in: www.symyx.com/support/developer/chime/.
PhysicsWeb Interactive Experiments physicsweb.org/resources/Education/Interactive_experiments
A collection of interactive applets on essential concepts of classical and modern physics. Of relevance to this chapter are the applets on Fourier Synthesis, Formation of a p-n Junction Diode and its Band Diagram, and Fermi Levels versus Carrier Concentration.
Java Demos for Probability and Statistics www.math.csusb.edu/faculty/stanton/m262/index.html
An interactive introduction to probability models that are useful in the study of statistical thermodynamics.
The Ideal Atmosphere www.chem.uci.edu/undergrad/applets/canonical/canonical.htm
A simplified simulation of the Earth's atmosphere illustrates the canonical ensemble and the Boltzmann distribution.
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