Software
- 81
- Moloc
- Molecular Design Software Suite for Irix, Linux, and Windows. Includes features such as structure generation, molecular mechanics, conformational search, molecular dynamics, and similarity analysis. Free for academic users.
- 82
- PyQuante
- "Python Quantum Chemistry" - an open-source suite of programs for developing quantum chemistry methods. Emphasis is on simplicity, rather than speed, but some bottlenecks are written in C.
- 83
- PyVib2
- Permits the automatic correlation of vibrational motions of molecules thereby allowing an understanding of Raman, Raman optical activity, infrared vibrational absorption, and vibrational circular dichroism spectra.
- 84
- Thermodynamic Modeling
- About equilibrium composition, thermodynamic modeling, thermodynamic properties of substances, real gas properties, and computational thermodynamics.
- 85
- WebMO
- Web interface for the quantum chemistry packages MOPAC, Gaussian, and GAMESS. Free version available for download; pro version also available.
- 86
- YAeHMOP
- "Yet Another extended Huckel Molecular Orbital Package". Performs calculations and visualization for both molecular and extended materials in 1, 2, or 3 dimensions. Freely available in source form.
- 87
- Zeta Potential
- Zeta is a free (GPL) computer program which can be used to calculate the zeta potentials.
- 89
- Chemical Equation Expert
- Windows software to balance and calculate chemical equations. Demo and ordering information available.
- 90
- ChemCalc
- Online calculator for molecular formula, molecular weight, elemental composition, and isotopic distribution. Java recommended.
- 91
- Formol
- Open source command-line molar weight calculator. C++ source code and Linux packages available.
- 92
- Molecular Weight Calculation
- Very simple web-based utility for finding the molecular mass, elemental composition, and degree of unsaturation given a chemical formula.
- 93
- Molecular weight and elemental analysis calculator
- This Unix program calculates the formula weight and the element distribution for a given chemical formula.
- 95
- ChemDoodle
- Software tool for drawing chemical structures, diagrams and figures. Demo available for immediate download. ChemDoodle works on Windows, Mac OSX, and Linux.
- 96
- ChemInnovation Software
- Chemistry 4-D Draw high-quality structures quickly by entering molecular names. It also assigns systematic names, drawing and text editing.
- 97
- Chemtool
- Free software for drawing organic molecules and storing them as an X-Bitmap, LaTeX and XFig file. For Linux/Unix, includes source code, screenshots, and downloads.