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ChemDoodle
ChemDoodle 9.1.0   
... It is a 2D chemical environment where anything chemistry can be incorporated. ChemDoodle's widgets are a great example of this freedom. These mini-applications perform various unique tasks such as interfacing ...
Trialware | $140.00
tags: draw molecule, chemical structure, chemical molecule, molecule, chemical, draw

Espresso ELN
Espresso ELN 10.6.3   
Espresso ELN is a fully featured chemistry electronic lab notebook (ELN) suited for organic, organometallic, polymer and peptide chemistry, featuring a strong protocol editor, detection of synthetic ...
Demo | $149.00
tags: electronic lab notebook, chemistry software, chemical reaction, electronic lab, chemistry, laboratory

ACD/ChemSketch screenshot
ACD/ChemSketch 2021.2.2   
... structures; and as well as access to the chemistry Web search engines PubChem, eMolecules, and ChemSpider. ...
Freeware
tags: chemical, structure, drawing, chemical sketch, chemical structure, draw molecule, chemistry, molecule, refraction, carbon

SingleCrystal
SingleCrystal 5.0.0   
SingleCrystal is an elegant program designed to make the world of diffraction, reciprocal lattices and stereographic projections intuitive, interactive and fun! SingleCrystal can simulate X-ray, neutron and electron diffraction patterns ...
Demo | $449.00
tags: Chemistry Diffraction, Chemistry Analysis, Molecule Simulation, Diffraction, Electron, Neutron

ExafsArchitect screenshot
ExafsArchitect 1.1.2   
... systematically varying the coordinates of ligands relevant to Chemistry and biology, to easily calculate 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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