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VMS Draw provides general utilities (e.g. normalization, conversion, and other manipulations of several spectra at the same time) and a flexible graphical user interface (GUI) for an easy use by non-specialists which allows a seamless flow of information between experimentally and theoretically oriented researchers.
Finally, it permits effective interactions with other electronic structure codes [e.g., nuclear magnetic resonance (NMR), microwave] even if Gaussian 16 offers the widest set of methods for computational spectroscopy.
Features
- Preprocessing Tools
- Manages a HPC job life cycle
- Fully Customizable Chart
- Vibrational Analysis
- Vibronic Analysis
- UV/VIS Vibronic Analysis
- PCM Solvation Cavity
- Plot Digitization and Comparison
- Summing up Spectra and Simulate Mixtures
- Rotational Fit&Prediction
- Nuclear Magnetic Resonance Prediction
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