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Sites vergelijkbaar Mpqc.Org

mpqc.org - MPQC Home
MPQC Home
beschrijving: The "Massively Parallel Quantum Chemistry Program". Computes properties of atoms and molecules from first principles using the time independent Schrödinger equation. Free, available under the GPL.
Populaire zoekopdrachten: mpqc
Mpqc.Org
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Taal: English
Site-onderwerpen:  chemistry
CHEMKED - Chemical Kinetics - Gas Phase Chemical Reactions - ...
CHEMKED - Chemical Kinetics of Gas Phase Reactions - Databases and Simulation
mark.jelezniak.de - 

sites zoals Mark.Jelezniak.De

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Chemissian: software to analyze spectra, build density maps and ...
User-friendly software uses gamess/gaussian outputs to build molecular orbital energy-level diagrams, UV/VIS spectra, density maps and prepare them for publication
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Cheminformatics and Molecular Modeling | OpenEye Scientific ...
OpenEye Scientific Software develops software for drug design, molecular modeling, virtual screening and lead-hopping. Areas of expertise include cheminformatics ...
eyesopen.com - 

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The YAeHMOP Home Page
"Yet Another extended Huckel Molecular Orbital Package". Performs calculations and visualization for both molecular and extended materials in 1, 2, or 3 dimensions ...
yaehmop.sourceforge.net - 

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Banned By Gaussian
Site critical of Gaussian, Inc.'s licensing practices. Reports allegations of Gaussian banning "competitors" from using their product.
bannedbygaussian.org - 

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OpenThermo
Open source program package for calculation of thermodynamic functions from molecular data.
openthermo.wiki.sourceforge.net - 

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Chemical inventory software, Lab equipment calibration and ...
ChemSW is a provider of chemical inventory managment systems and program software, MSDS systems and chemistry laboratory software.
chemsw.com - 

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CRYSTAL Home Page
Unix program to compute the electronic structure of periodic systems within Hartree Fock, density functional or various hybrid approximations. Documentation ...
crystal.unito.it - 

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