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MINEQL+ Chemical Equilibrium Modeling System

Описание: MINEQL+ - A chemical equilibriummodeling system for Windows Vista/XP/9x. Determine pH, alkalinity,chemical speciation, ion balance, and solubility in aquaeous solutions.

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CHEMKED - Chemical Kinetics - Gas Phase Chemical Reactions - ...

CHEMKED - Chemical Kinetics of Gas Phase Reactions - Databases and Simulation

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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 ...

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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 -