Sites

WinMopac (Popularity: )

Free graphical version of MOPAC 7 for windows, with an integrated molecular viewer (RasWin). Used ...

MINEQL (Popularity: )

Chemical equilibrium modeling system for low-temperature applications. Useful in aquatic chemistry applications.

CHEAQS (Popularity: )

Free windows program for calculating chemical equilibria in aquatic systems. CHEAQS solves speciation problems and ...

MOMix and ALP-Vibro (Popularity: )

Programs for Quantum Chemistry. MOMix (electron population analysis). ALP-vibro (animation of molecular vibrations). Spectrum Wizard.

Thermodynamic Modeling (Popularity: )

About equilibrium composition, thermodynamic modeling, thermodynamic properties of substances, real gas properties, and computational thermodynamics.

WebMO (Popularity: )

Web interface for the quantum chemistry packages MOPAC, Gaussian, and GAMESS. Free version available for ...

AOMix (Popularity: )

A program for molecular orbital analysis. It calculates the MO compositions of the constituent chemical ...

CASTEP - CAmbridge Serial Total Energy Package (Popularity: )

Uses density functional theory to provide an atomic-level description of materials and molecules.

MOLCAS (Popularity: )

Program for an accurate ab initio treatment of very general electronic structure problems for molecular ...

CHEMKIN Collection Software (Popularity: )

Simulates complex chemical kinetics in reacting flow.

Zoa (Popularity: )

Windows program for the analysis of results of quantum chemical calculations. Provides tools to build ...

Spectra (Popularity: )

Windows program for the interactive analysis of crystal field spectra of f-block elements.

Zeta Potential (Popularity: )

Zeta is a free (GPL) computer program which can be used to calculate the zeta ...

YAeHMOP (Popularity: )

"Yet Another extended Huckel Molecular Orbital Package". Performs calculations and visualization for both molecular and ...

Jaguar (Popularity: )

A general purpose ab initio electronic structure package that is capable of computing variety of ...

ArgusLab (Popularity: )

A free molecular modeling program for Windows9x operating systems with 3D-builder, various ab initio calculation ...

ADF (Popularity: )

ADF, the Amsterdam Density Functional program for the treatment of complex chemical problems.

Chemical Kinetics Simulator Software (Popularity: )

An easy-to-use, rapid, interactive method for the simulation of chemical reactions.

CRYSTAL Home Page (Popularity: )

Unix program to compute the electronic structure of periodic systems within Hartree Fock, density functional ...

CONFLEX2000 (Popularity: )

Commercial conformational searching and analysis tools for Linux, Mac OS X, and Windows. Compatible w/CAChe, ...