Typess Of Chemical Bonds

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

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

The DynaFit application was developed to perform nonlinear least-squares regression of chemical kinetic, enzyme kinetic, or ligand-receptor binding data. The experimental data can be either initial reaction velocities in dependence on the concentration of varied species (e.g., inhibitor... Platforms: Windows

Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. * Ready-to-use... Platforms: Windows, Mac, *nix, C/C++, BSD

Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. Platforms: *nix

PaDEL-DDPredictor is developed as an accessible and useful application that can calculate the absorption, distribution, metabolism, excretion and toxicological (ADMET) properties of chemical compounds. PaDEL-DDPredictor was developed with the help of the Java programming language and can run on... Platforms: Windows

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

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

ReactionLab is a software package aimed for a unified computer environment to kinetic modeling of chemical reaction systems. The present implementation is founded on Matlab and Java-Swing GUI, with an interface to legacy C (and Fortran) codes. Platforms: Windows, Mac, Linux

A GUI application which estimates toxic hazard of chemical compounds. The latest version includes the following toxicity prediction modules: -Cramer rules (oral toxicity) -Toxicity mode of action via Verhaar scheme -Skin irritation prediction -Eye irritation prediction -Benigni / Bossa... Platforms: Windows, Mac, Linux

GLARE is a free software that facilitates and improves the design of chemical combinatorial libraries. This program reduces or eliminates the time a combinatorial chemist spends examining reagents which a priori cannot be part of a 'good library'. The principal objective of the algorithm behind... Platforms: *nix

For the set of chemical elements (Ba, Sr, Ca and so on) there is a function enabling to print capital and small letters without switching by "Shift" and "Caps Lock" keys. Figures specifying the number of atoms in chemical formula (H2SO4) are automatically made subscripts, and atom's oxidation... Platforms: Windows

Circuit Aid contains a resistor circuit analysis tool that can build up to an 18 resistor series-parallel circuit. This tool will display voltage, amperage, and power used by every resistor in the circuit by means of mesh analysis. In addition, the program also contains a resistor color band... Platforms: Mac

Scaffold Hunter is an accessible Java-based application built for the analysis of structure-related biochemical data. The program is able to facilitate the interactive exploration of chemical space by enabling generation of and navigation in a scaffold tree hierarchy annotated with various... Platforms: Windows, Windows Vista, 7

Empowering students, teachers, and chemists to easily author documents in the language of chemistry is at the heart of the Chemistry Add-in for Word. Every discipline has its own language. And being able to communicate and collaborate in a discipline-specific language is essential to scientific... Platforms: Windows

This project going to develop a thermodinamical server for chemical simulation, equip design, scientific module for other aplication or chemical education. Also the thermo server is developed to complete the project of chemical simulation Sim42.Spanish Platforms: Windows, Mac, Linux

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

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

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

OpenOffice.org extension for creation and editing of chemical structures embedded into OOo documents Platforms: Windows, Mac, Linux