DrawSpectrum 4+
UNamur
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- $24.99
Screenshots
Description
DrawSpectrum, a powerful graphical interface to plot Infrared, Raman, Vibrational Circular Dichroism (VCD), Raman Optical Activity (ROA), Sum-Frequency Generation (SFG), UV-Vis, and Electronic Circular Dichroism (ECD) spectra obtained form quantum chemistry calculations as well as from experiment.
CITATION
If you use DrawSpectrum for your scientific work, please cite the DrawSpectrum program in your papers:
DrawSpectrum, Vincent LIEGEOIS, UNamur, www.unamur.be/drawspectrum
All papers that cite DrawSpectrum will be listed on the website
FUNCTIONALITIES
With DrawSpectrum, you can:
A) Plot Infrared, Raman, Vibrational Circular Dichroism (VCD), Raman Optical Activity (ROA), Sum-Frequency Generation (SFG), UV-Vis, and Electronic Circular Dichroism (ECD) spectra obtained form quantum chemistry calculations as well as from experiment.
B) Show the contribution of each transition (for IR, Raman, ROA, VCD, UV and ECD coming for quantum chemistry calculations) to the global spectrum via impulses.
C) Add a label on each maximum of the plot, move and rename these labels.
D) Quickly zoom and drag the plots by using the trackpad
E) Save any spectra:
- As a picture in pdf (vectorial)
CONTACT AND HELP
If you have any issue, please send an e-mail at drawmol@unamur.be
What’s New
Version 1.7.15
- FCHK file: huge improvement when opening large files
App Privacy
The developer, UNamur, indicated that the app’s privacy practices may include handling of data as described below. For more information, see the developer’s privacy policy.
Data Not Collected
The developer does not collect any data from this app.
Privacy practices may vary, for example, based on the features you use or your age. Learn More
Information
- Seller
- Universite de Namur ASBL
- Size
- 19.4 MB
- Category
- Education
- Compatibility
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- Mac
- Requires macOS 10.14.6 or later.
- Languages
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English
- Age Rating
- 4+
- Copyright
- © Vincent LIEGEOIS, UNamur, Belgium
- Price
- $24.99
Supports
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Family Sharing
Up to six family members can use this app with Family Sharing enabled.