Named Chemical Reactions

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...

The OpenFOAM comes from Open Field Operation and Manipulation, and can simulate anything from complex fluid flows involving chemical reactions, turbulence and heat transfer, to solid dynamics, electromagnetics and the pricing of financial options. The core technology of OpenFOAM is a flexible...

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

MesoRD is a stochastic and deterministic simulator of coupled chemical reactions and diffusions in space.


Platforms: Windows, Mac, BSD, Solaris, Linux

Watch a reaction proceed over time. How does total energy affect a reaction rate? Vary temperature, barrier height, and potential energies. Record concentrations and time in order to extract rate coefficients. Do temperature dependent studies to extract Arrhenius parameters. This simulation is...


Platforms: Mac

Create your own sandwich and then see how many sandwiches you can make with different amounts of ingredients. Do the same with chemical reactions. See how many products you can make with different amounts of reactants. Play a game to test your understanding of reactants, products and leftovers....


Platforms: Mac

LabJ-ng is a laboratory notebook for organic chemists. It has a client-server architecture with a web browsers interface. Data is stored on MySQL database. Chemical reactions are drawned in java applet window. See projct website for example.


Platforms: *nix

massXpert is about mass spectrometry. This is software that runs on MS-Windows, Apple-Mac-OS-X, GNU-Linux, and almost all variants of the UNIX system. With massXpert you actually have four programs in one : 1. With the XpertDef module you define brand new polymer chemistries (what are the...


Platforms: Mac

In this game there will be a grid of atoms of carbon, hydrogen and oxygen. You need to form molecules by arranging the atoms in a particular sequence. For example, one hydrogen, one oxygen and then one hydrogen will form one water molecule. There are 4 types of molecules that you can form: water,...


Platforms: Windows

The Oregonator model accurately describes the Belousov-Zhabotinsky (BZ) reaction. BZ reaction is an example of oscillating chemical reactions. The simulink file oregonator.mdl solves this classical problem. The values of the parameters used in the simulation give a limit cycle when we plot...


Platforms: Matlab

StoichTools comprises a set of Matlab functions for doing stoichiometric analysis. These functions parse standard chemical notation for a variety of stoichiometric calculations including finding molecular weights, balancing reactions for atom and charge conservation, finding independent...


Platforms: Matlab

Chemical Equation Expert is an integrated tool for chemistry professionals and students. You'll find complicated work such as balancing chemical equations and related calculations so easy and even enjoyable! Key Feafures - 1. An intelligent balancer Chemical Equation Expert balances chemical...


Platforms: Windows

Class::Accessor::Named is a great way to automate the tedious task of generating accessors and mutators. One small drawback is that due to the details of the implemenetation, you only get one "__ANON__" entry in profiling output. That entry contains all your accessors, which can be a real pain...


Platforms: *nix

Unimaginatively-named Calendar project began out of frustration with other web-based calendar tools inability to display a readable calendar format. Unimaginatively-named Calendar was very much a project to "scratch an itch" -- to meet an immediate need that the author had. Since then, it has...


Platforms: *nix

In the program, an example from the field of nonlinear chemical dynamics is presented. Governing equation and reaction scheme can be found in G. Nicolis, Dynamique Chimique, Thermodynamique, cindoTetique et mdoTecanique statistique, Dunod, Paris 2005. We use the arc length continuation method to...


Platforms: Matlab

This function look in the specified workbook to a specific Named range given as an input. If not found, an empy matrix is returned. the workbook should be an absolute path.


Platforms: Matlab

Search the database of all alergic reactions. Enter your symptoms in the software and search the related alergies that might cause that symptoms. After that you can check the available remedies for that particualr alery. This software is not a substitute of doctors advice, but can give you some...


Platforms: Windows, Edition 2005

BANNER is a named entity recognition system intended primarily for biomedical text. It uses conditional random fields as the primary recognition engine and includes a wide survey of the best techniques described in recent literature.


Platforms: Windows, Mac, Linux

The development and curation of a range of XML-based tools for using Chemical Markup Language (CML), including XSD XML Schemas for validation, datatyping and constraining CML documents and XSLT Stylesheets for transforming, filtering and rendering.


Platforms: Windows, Mac, Linux

The Chemical Structures Project is a set of 3D structures of molecules in CML format. Each file contains also some physical properties, which can be access using a web browser or a CML file reader.


Platforms: Windows, Mac, Linux