- Molcas
- Molcas is a quantum chemistry software developed by scientists to be used by scientists. It is not primarily a commercial product and it is not sold in order to produce a fortune f
- Q-Chem
- Q-Chem is a comprehensive ab initio quantum chemistry package. Its capabilities range from the highest performance DFT/HF calculations to high level post-HF correlation methods. Q-
- A Numerical Hartree-Fock Program for Diatomic Molecules
- The authors retain ownership of all materials, including software and documentations for the numerical 2D program. The user agrees that the software is furnished on an &qu
- CASTEP
- CASTEP is a software package which uses density functional theory to provide a good atomic-level description of all manner of materials and molecules. CASTEP can give information a
- New version 7.0 of HSC Chemistry models multiple reaction sequencies
- HSC Chemistry 7.0 is not only a process flowsheet simulation software program but it also contains 22 other useful calculation modules and 12 databases with an extensive number of
- Cispro Chemical Inventory System
- CISPro Client/Server is the industry-standard database software for tracking chemicals and other laboratory supplies. CISPro Client/Server utilizes a SQL database for data storage.
- ChemDBsoft
- This is Chemistry Database Software.
- Free patent download tool GetIPDL
- GetIPDL downloads patent documents
- Virtual Molecular Dynamics Laboratory (free)
- The Virtual Molecular Dynamics Lab
- Software to Demonstrate NMR Concepts(free)
- This program displays the net magn
- Calculators for Chemists(free)
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- Chemistry experiment teaching software
- The eLABorat
- Software for Chemistry Teaching @ Queen Mary, University of London (free)
- The website provides some tutorial
- chem4free
- This is a free site for chemists a
- Chembalancer
- Chembalancer is a little online ga
- KnowItAll Academic Edition (free)
- The following applications and fea
- GlassyChemistry (partially free)
- Democritus
- Democritus is a collection of expe
- Magnus program for chemical calculations
- Magnus program for chemical calcul
- Model ChemLab
- Model ChemLab originated from acad
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