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ADF: Density Functional Theory (DFT) software for chemists

Descripción: ADF: Accurate, efficient, user-friendly DFT software. Expert support. Strong in spectroscopy, heavy elements, chemical analysis. Free trial for ADF modeling suite including BAND, DFTB, MOPAC2012, ReaxFF, COSMO-RS

Lo más buscado: scm

clasificación:

3.0 / 5.0, revisado por Sites Like Search

idioma: English

Temas de este sitio: chemistry

CHEMKED - Chemical Kinetics - Gas Phase Chemical Reactions - <strong>...strong>

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

mark.jelezniak.de -

Sitios como Mark.Jelezniak.De

clasificación:

3.0 / 5.0, idioma: English

Chemissian: software to analyze spectra, build density maps and <strong>...strong>

User-friendly software uses gamess/gaussian outputs to build molecular orbital energy-level diagrams, UV/VIS spectra, density maps and prepare them for publication

chemissian.com -

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clasificación:

3.0 / 5.0, idioma: English

Cheminformatics and Molecular Modeling | OpenEye Scientific <strong>...strong>

OpenEye Scientific Software develops software for drug design, molecular modeling, virtual screening and lead-hopping. Areas of expertise include cheminformatics <strong>...strong>

eyesopen.com -

Sitios como Eyesopen

clasificación:

3.0 / 5.0, idioma: English

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 <strong>...strong>

yaehmop.sourceforge.net -