Euclid Chemical
ChemSpider Search is a useful Safari extension for viewing chemical structure images without leaving the current site.
Right-click on any compound name, drug name or chemical formula and choose "Search in ChemSpider" to see an image of the chemical structure. Then just click the "View" button to...
Platforms: Windows
License: Freeware | Download (50): ChemSpider Search Download |
DWSIM is a Chemical Process Simulator for Windows, Linux and Mac. Built for the Microsoft .NET 2.0 and Mono Platforms and featuring a rich Graphical User Interface (GUI), DWSIM allows chemical engineering students and chemical engineers to better understand the behavior of their chemical systems...
Platforms: *nix
License: Freeware | Size: 17.27 MB | Download (50): DWSIM Mono Edition Download |
AMBIT offers chemoinformatics functionality via REST web services and desktop applications. Chemical compounds and data storage in MySQL database; substructure, similarity and other queries, descriptor calculation and predictive models building.
Platforms: Windows, Mac, Linux
License: Freeware | Size: 50 MB | Download (49): Ambit - chemical structures database Download |
ChemDigiT is a chemical calculator. No approximations made. All calculated variables show their exact values. The algorithm used for calculations is based on a full set of equations describing acid/base and salt dissociation equlibrium solved with Newton Raphson method. pH calculation...
Platforms: Windows
License: Freeware | Size: 2.36 MB | Download (49): ChemDigiT Download |
Cocoa/Objective-C chemical analysis and computation program; includes gas laws, solutions/solubility, stoichiometry, periodic tables, et alii.
Platforms: Mac
License: Freeware | Size: 28.21 KB | Download (49): ChemBuddy Download |
The program determines the constants Rmax and Km of the Michaelis-Menten model using data given in Fundamentals of Chemical Reaction Engineering by M. E. Davis & R. J. Davis, McGraw Hill, 2003. This data represents the substrate (catechol) concentration versus time. This data was obtained using...
Platforms: Matlab
License: Freeware | Size: 20.48 KB | Download (49): Nonlinear Fit of Michaelis-Menten model Download |
The Mole Package contains 3 mfiles and 1 matfile. molecules2 calculates molecular masses pertable provides data on the elements sym2an converts a chemical symbol to a valid atomic number (useful for molecules2 and pertable). atoms contains atomic number data.
Platforms: Matlab
License: Freeware | Size: 10 KB | Download (49): Mole Package Download |
The five programs provided solve several process design problems. These examples were originally provided as applications of process design optimization by Edgar, Himmelblau and Lasdon in their excellent book entitled Optimization of Chemical Processes, McGraw-Hill International Edition, 2001....
Platforms: Matlab
License: Freeware | Size: 10 KB | Download (48): Application of Optimization to the Study of Chemical Processes Download |
We use the SRK equation of state to compute the correction factor due to gas-phase nonideality as a result of the high pressure applied in the ammonia synthesis. We also compute the extent of reaction. Plots of these two quantities versus pressure for temperature equal to 800K are presented. The...
Platforms: Matlab
License: Freeware | Size: 10 KB | Download (48): Calculation of High-Pressure Chemical Equilibrium: Case of ammonia synthesis Download |
BETR-Research (BETRS) is a modelling framework to create spatially resolved multimedia models for the environmental fate- and transport of chemical contaminants. It is intended to serve the research community and can be used as a teaching tool.
Platforms: Windows, Mac, BSD, Linux
License: Freeware | Size: 13.62 MB | Download (48): BETR-Research Download |
DRCS (Dimensionless Reaction Coordinate Software) calculates a dimensionless reaction coordinate for chemical reactions that can be used to classify transition states (and other geometries along a reaction path) as either early or late.
Platforms: Windows, Mac, Linux
License: Freeware | Size: 10.03 KB | Download (48): DRCS Download |
Web-based Electronic Laboratory Notebook (ELN) with integrated Chemical Inventory by the group of Prof. Goossen (TU Kaiserslautern, Germany), based on PHP/MySQL. Allows (sub-)structure search, reaction planning, management of spectra and literature.
Platforms: Windows, Mac, Linux
License: Freeware | Size: 15.18 MB | Download (48): open enventory Download |
The ChemSense Studio software supports the creation and sharing of text, images, graphs, drawings, and storyboard animations of chemical processes. The ChemSense Animator can be run as a separate, stand-alone application. See http://chemsense.sri.com
Platforms: Windows, Mac, Linux
License: Freeware | Size: 5.05 MB | Download (47): chemsense Download |
NMRShiftDB is an open-source, open-access, open-submission, open-content web database for chemical structures and their nuclear magnetic resonance data.
Platforms: Windows, Mac, Linux
License: Freeware | Size: 7.73 MB | Download (47): NMRShiftDB Download |
OpenChem Workbench is an enterprise software suite designed for creating, saving, searching, and exchanging chemical data. It uses existing tools (NIST, Gaussian, CHEMKIN) and its own (easy molecule building, mechanism management, group additivity, etc.)
Platforms: Windows, Mac, Linux
License: Freeware | Size: 5.94 MB | Download (47): OpenChem Workbench Download |
ENZyme KINetics is the study of the chemical reactions that are catalysed by enzymes. In enzyme kinetics the reaction rate is measured and the effects of varying the conditions of the reaction investigated. Studying an enzyme's kinetics in this way can reveal the catalytic mechanism of this...
Platforms: Matlab
License: Freeware | Size: 10 KB | Download (47): Enzkin Download |
This m-file gives the atomic weight of any element or molecular weight of any chemical species.Input:species = (cell array)The species is the 'formula'.Output:Atomic weight of any element or molecular weight of any chemicalspecies.
Platforms: Matlab
License: Freeware | Size: 10 KB | Download (46): amolwt Download |
Science Laboratory Inventory and Orders Management System: more suitable for school's science laboratories to manage stored items (chemical and equipment) and add a way to order them on-line for science lessons and practical experiments.
Platforms: PHP
License: Freeware | Size: 3.02 MB | Download (46): Science Lab Inventory & Order Management Download |
Cantera is a suite of object-oriented software tools for problems involving chemical kinetics, thermodynamics, and/or transport processes. It can be used from MATLAB, Python, C++, or Fortran.
Platforms: Windows, Mac, Linux
License: Freeware | Size: 3.74 MB | Download (46): Cantera Download |
A Java program to parse chemical names using IUPAC nomenclature. The output can be either a visualisation of the molecule, or in a form for other programs to use (e.g. CML).
Platforms: Windows, Mac, Linux
License: Freeware | Size: 985.52 KB | Download (46): ChemNomParse Download |