| ★SMILES |
| ★FACT |
| thermochemical databases and software packages in pyrometallurgy, hydrometallurgy, chemical engineering, geology, electrochemistry and process simulation for pure substances and non-ideal solutions of gases, alloys, ceramics, salts, mattes, slags, minerals, aqueous, etc. |
| ★Thermodynamics Research Laboratory |
| This is an exhaustive list about the Classical, Quantum, Nanoscale & Statistical Thermodynamics & Mechanics Educational Sites Classical, Quantum, Nanoscale & Statistical Thermodynamics & Mechanics Data and Property Calculation Sites by Dr. Mansoori, University of Illinois, Champaign |
| ★ACD pKa, LogP, LogD, Solubility |
| ACD/pKa DB is a program that calculates accurate acid-base ionization constants (pKa values) under 25°C and zero ionic strength in aqueous solutions for almost any organic structure. ACD/pKa DB is an easy-to-use tool which enables you to |
| ★ACD/I-Lab |
| ACD/I-Lab is an Internet-based service for instant access to chemical databases and property predictions programs. |
| ★Bilbao |
| The Bilbao Crystallographic Server is a web site with crystallographic programs and databases accessible via Internet. |
| ★ChemSage |
| ChemSage is a direct descendant of the widely used SOLGASMIX Gibbs energy minimiser program developed by Dr. Gunnar Eriksson nearly 30 years ago. |
| ★Molecular Knowledge Systems, Inc. |
| Molecular Knowledge Systems, Inc. is a leading provider of computer software for physical property estimation and molecular design. Founded in 1989 by Dr. Kevin G. Joback, a leading expert in physical property estimation. |
| ★The World-Wide Web NMR SPECTROMETER, University of Florida, US |
| The WWW NMR Spectrometer is a 7 Tesla system designed for real-time acquistion of NMR signals using a Web browser. |
| ★Thermo-Calc Software |
| The mission of Thermo-Calc Software is to deliver the best software, databases and services for technical calculations involving thermodynamics or diffusion. |
| ★Secondary Structure Matching (SSM) |
| Secondary Structure Matching (SSM) is an interactive service for comparing protein structures in 3D. |
| ★EQS4WIN |
| One of the most significant features of EQS4WIN is its ability to solve problems both for which the problem free-energy data is available only as reaction equilibrium constants, as well as those for which individual species data is available (either obtained from its built-in database or supplied by the user). |
| ★Chemie |
| a chemical molecular formula |
| ★Screensaver Lifesaver |
| Anyone, anywhere with access to a personal computer, could help find a cure for cancer by giving 'screensaver time' from their computers to the world's largest ever computational project, which will screen 3.5 billion molecules for cancer-fighting potential. |
