A python-solver for Tanabe-Sugano and energy-correlation diagrams
Free and open-source code package designed to perform PyMEEP FDTD simulations applied to Plasmonics (UBA+CONICET) [Buenos Aires, Argentina]
Process UV-Vis absorption spectra, make Tauc transformation for direct/indirect allowed transition, extract band gap values for corresponding transition type, and plot figures
Helper module for working with data from the SGM Beamline
Python package to detect Reflectance Spectroscopy Absorptions (RSAbs)
A streamlined Fortran tool for broad-spectrum high-resolution atmospheric absorption analysis. It provides PT-table outputs, ideal for quick integration with radiative transfer codes.
Calculation of the edge potentials of valence and conduction bands. The band edge potentials are in normalized hydrogen scale.
Software for analysing Spectral- and Absortipn-Mapping.
Very alpha project about experimental absorption spectrum processing based on HITRAN HAPI module
GNN for predicting absorption spectra. Architecture uses Message Passing Framework to understand molecular features.
Simple absorption spectra decryptor in Python 3
This file contains the script that allows the user to determine the amounts of Pfr (15E) and Pr (15Z) in a phytochrome sample using the data obtained via UV/Vis absorption spectroscopy. Consult link below or ReadMe for more information
Visualize ORCA UV-Vis absorption spectra and distinguish the contribution of each root to the total spectrum
DFT-based computational spectroscopy workflows for IR, Raman, and UV-Vis analysis using VASP, phonopy, dielectric tensor calculations, and Python post-processing.
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