Molecular Modeling Tools

Literature Databases

Gaussian
• ADF
• CASTEP
• VASP
• Crystal
Siesta
Cerius2
• GAMESS
• CAChe

• HyperChem
• DL_POLY
• AutoDock
• Arguslab
• VMD
• MOLDEN
• Orient
• Software List
• VESTA

• Web of Science
• Science Direct
• ACS Publications
• AIP Publications
• Science
• Nature

Tips on Quantum Chemistry

Tips on MD & MC simulations

• DFT workshop
• DFT soup(?)
• CCL Net
• Basis set
• Opium
• Electronicstrucutre.org
• Computational chemistry resources
• Basic ab initio Quantum Chemistry
• ADVANCED GAUSSIAN 98
• Barone's PCM

• Nanohub
• Do it yourself!
• Freescience
• Molecular Modeling Lecture (UIUC)
• MD & MC Lecture (Penn State)
• AMBER Paramete Database
• CHARMM(m)

 General chemistry  

News

• Periodic table
• The Sheffield Chemdex
• NIST database
• CCCBD
• Ionic Radii

• AGU
• GSA
• MSA
• ACS,    ACS_Geochemistry  
• NSF
• Google news

AFM (Atomic Force Microscopy)

Computers

• AFM Simulations (single molecule)
• Dr. Ortiz's Lab
• Novascan
• Veeco

• NERSC
• HERT Tutorial
• Beowulf-type cluster
• Cygwin
• Vallina

QCM (Quartz Crystal Microbalance)

NMR & EPR

• QCMs
• Q-Sense

• EPR/ENDOR sites
• Chemical shift conversion

Bacteria Adhesion

Misc.

• Electric Double Layer
• Fimbriae

• On Cutting Edge in Geoscience
• eScience
• Geosciences in USA&Canada
• Community of Science
• The New York Times
• PBS news