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Descripción: 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.
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clasificación:
3.0 / 5.0, revisado por Sites Like Search
idioma: English
Temas de este sitio: chemistry
CHEMKED - Chemical Kinetics of Gas Phase Reactions - Databases and Simulation
clasificación:
3.0 / 5.0, idioma: English
User-friendly software uses gamess/gaussian outputs to build molecular orbital energy-level diagrams, UV/VIS spectra, density maps and prepare them for publication
clasificación:
3.0 / 5.0, idioma: English
OpenEye Scientific Software develops software for drug design, molecular modeling, virtual screening and lead-hopping. Areas of expertise include cheminformatics ...
clasificación:
3.0 / 5.0, idioma: English
"Yet Another extended Huckel Molecular Orbital Package". Performs calculations and visualization for both molecular and extended materials in 1, 2, or 3 dimensions ...
clasificación:
3.0 / 5.0, idioma: English
Site critical of Gaussian, Inc.'s licensing practices. Reports allegations of Gaussian banning "competitors" from using their product.
clasificación:
3.0 / 5.0, idioma: English
Open source program package for calculation of thermodynamic functions from molecular data.
clasificación:
3.0 / 5.0, idioma: English
ChemSW is a provider of chemical inventory managment systems and program software, MSDS systems and chemistry laboratory software.
clasificación:
3.0 / 5.0, idioma: English
Unix program to compute the electronic structure of periodic systems within Hartree Fock, density functional or various hybrid approximations. Documentation ...
clasificación:
3.0 / 5.0, idioma: English
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