NWChem is an electronic structure package that features MC-SCF, MPn, CC, CI, and DFT methods. Properties, solvation models, QM/MM, and MD simulations are also possible.
PyQuante is an open-source suite of programs for developing quantum chemistry methods. The program is written in the Python programming language, but has many "rate-determining" modules also written in C for speed.
SensoTech is a leading supplier of process analyzers for the in-line measurement of concentration and density in liquid processes. Typical further applications are the phase interface detection or the monitoring of complete chemical reactions like polymerisation or crystallization.
Twice today that question was put to me. I thought I’d take a moment and answer it not just for the two individuals who asked, but for anyone who might be wondering. Below is my recommendation…
S. Takayuki, and J. Makino. (2012)cite arxiv:1202.4277
Comment: 14 pages, 13 figures, submitted to ApJ. Movies and high resolution
figures are available at http://v1.jmlab.jp/~saitoh/sph/index.html.
M. Ester, H. Kriegel, J. Sander, and X. Xu. Proc. of 2nd International Conference on Knowledge Discovery and Data Mining (KDD-96), page 226-231. (1996)
M. Ester, H. Kriegel, J. Sander, and X. Xu. Proceedings of the Second International Conference on Knowledge Discovery and Data Mining (KDD-96), page 226-231. AAAI Press, (1996)