Chemistry Links

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CHEMISTRY

Properties of atoms, most common compounds and notions of crystal structures: http://www.webelements.com/

Organic Chemistry:

http://www.organic-chemistry.org/reactions.htm

Crystal structures:

http://cst-www.nrl.navy.mil/lattice/

Basis sets, DFT functionals:

Basis set exchange: http://gnode2.pnl.gov/bse/portal

Density-Functional Theory: http://www-ledss.ujf-grenoble.fr/PERSONNEL/LEDSS7/casida/CompChem/DFT.html

DFT repository: http://www.cse.scitech.ac.uk/qcg/dft/contents.html

Density Functionals From Truhlar Group: http://comp.chem.umn.edu/info/DFT.htm

DATABASES

NIST database: thermodynamic, spectroscopic properties of molecules and some computational values: http://webbook.nist.gov/chemistry/

Chemspider: http://www.chemspider.com/

DFT database for RNA Catalysis: http://theory.chem.umn.edu/QCRNA/

Quantum Chemistry Literature DataBase (QCLDB): http://qcldb2.ims.ac.jp/

Computational Chemistry Comparison and Benchmark DataBase: http://srdata.nist.gov/cccbdb/default.htm

The Sheffield Chemdex (since 1993): http://www.chemdex.org/

VIRTUAL LABS

ChemGrid poster: http://www.gridchem.org

CSE-online: http://cse-online.net/

Computing@Home: http://boinc.berkeley.edu and http://folding.stanford.edu/

Quantum Theory

Quantiki

Qwiki

Quantum Mechanics

This quantum world

IUPAC Nomenclature Recommendations