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Espresso ELN
Espresso ELN 10.6.3   
... drawn reaction component (access to physical data, patents, spectra, etc.) · Integrated chemical drawing editor, with copy/paste support for ISIS/Draw and ChemDraw. · SQL Server synchronization (fee based), or local ...
Demo | $149.00
tags: electronic lab notebook, chemistry software, chemical reaction, electronic lab, chemistry, laboratory

ExafsArchitect screenshot
ExafsArchitect 1.1.2   
... and evaluate structural effects in EXAFS/XAS and XES spectra using FEFF and/or ORCA. ...
Open Source
tags: EXAFS analysis, molecular model, EXAFS spectra, EXAFS, analysis, model
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