Chemical Properties

Test::LectroTest::Property is a Perl module with properties that make testable claims about your software. SYNOPSIS use MyModule; # provides my_function_to_test use Test::LectroTest::Generator qw( :common ); use Test::LectroTest::Property qw( Test ); use Test::LectroTest::TestRunner; my...

Nomen project is a tool which creates chemical structures from valid IUPAC names. It outputs a 2D view and (optionally) a CML file..

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: Mac

Jmol is an applet and Java based application designed to display various 3D chemical information. Jmol's features include reading a variety of file types and output from quantum chemistry programs, and animation of multi-frame files and computed normal modes from quantum programs....


Platforms: Windows

SketchEl is an interactive chemical molecule sketching tool, and molecular spreadsheet data entry application. The feature set provided by the molecular sketcher is largely limited to the minimum features required to conveniently edit diagram representations of small molecule structures....


Platforms: Windows

CoolProp is designed to be an Open-Source database of refrigerant properties. It can be used in a wide range of programming environments. The current refrigerants available at this time are: · Argon, · Nitrogen, · R134a · R290 (Propane), · R32 (No transport properties), · R404A...


Platforms: Windows

Visual Graph is a standard ActiveX component for developing graphics-related applications of various industries, such as power, coal, chemical, automation monitor, simulation, graphical modeling, graphical topology analysis, vector drawing, tables, geographic information system (GIS), workflow,...


Platforms: Windows

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

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

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

A Python property is accessed like a normal attribute, but is implemented using method calls. This is a script for dictproperty: an attribute that is accessed like an indexed (dictionary) attribute, but is implemented using method calls.


Platforms: Windows, Mac, *nix, Python, BSD Solaris

This code use the Matlab interface GUI to calculate the vertical antenna properties. The code requests two inputs. The inputs are:- antenna length.- antenna output impedance.The program plot the antenna diagram and calculate:- Total power transmitted.- Effective heighth.- Opening angle.-...


Platforms: Matlab

AQUILA is a MATLAB toolbox for the one- or two dimensional simulation of the electronic properties of GaAs/AlGaAs semiconductor nanostructures. The program solves for a user-defined structure the one- or twodimensional Schroedinger- and Poisson-Equation in a self-consistent way.


Platforms: Matlab

A Simple Pack of Tools for Plotting Lattices and Crystals and Calculating Their Properties. Description is in each file.


Platforms: Matlab

A graphical user interface to compute the thermodynamic properties of an ideal rankine cycle.This example also demonstates saving and loading input fields from a GUI.This would not have been possible without the Steam Tables coded up by Magnus Holmgren.


Platforms: Matlab

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

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

This code generates the electronic distribution for known chemical elements


Platforms: Matlab

The program allows one to choose the best reactor setup among three alternatives: (1) a plug flow reactor with recycle, (2) a combination of a plug flow reactor and a stirred tank reactor in series and (3) two stirred tank reactors in series. This problem was solved graphically by O. Levenspiel...


Platforms: Matlab

The GUI application allows the user to enter the parameters of the Antoine equation and then plot vapour pressure of any chemical component versus temperature.


Platforms: Matlab