A program for molecular orbital analysis. It calculates the MO compositions of the constituent chemical fragments from the output files of various quantum-chemical packages, analyz...
http://www.sg-chem.net/
A free molecular modeling program for Windows9x operating systems with 3D-builder, various ab initio calculation modules and simple molecular mechanics.
http://www.planaria-software.com/
Site critical of Gaussian, Inc.'s licensing practices. Reports allegations of Gaussian banning "competitors" from using their product.
http://www.bannedbygaussian.org/
Free windows program for calculating chemical equilibria in aquatic systems. CHEAQS solves speciation problems and includes a customizable database of equilibrium constants.
http://home.tiscali.nl/cheaqs
Chemical kinetics of gas phase reactions. Databases, simulation, and analysis software for Windows. Demo version available.
http://mark.jelezniak.de/Chemked/
Commercial conformational searching and analysis tools for Linux, Mac OS X, and Windows. Compatible w/CAChe, ChemOffice, and Amber. Screen shots, data sheet, ordering, and trial ve...
http://www.conflex.us/
Unix program to compute the electronic structure of periodic systems within Hartree Fock, density functional or various hybrid approximations. Documentation, licensing, and downloa...
http://www.crystal.unito.it/
Codes in C and Fortran by Martin Z. Bazant to model interatomic forces in covalent solids and liquids which incorporates recent theoretical advances in understanding the environmen...
http://www-math.mit.edu/~bazant/EDIP/
Graphical user interface for Linux/Solaris/IRIX with visualization tools and a data management framework for setting up, submitting, and analyzing computational chemistry calculati...
http://ecce.emsl.pnl.gov/
Copyright 2006-2008 Webmasters, Inc. All Rights Reserved Worldwide. Patent Pending MasterMoz and its emblems are trademarks of Webmasters, Inc. Any other trademarks or trade names used on this website are the property of their respective owners.
Special Offer for Dmoz Editors
Supplemental listings provided by the Open Directory
Help build the largest human-edited directory on the web.