Wavepacket insights into the photoprotection mechanism of the UV filter methyl anthranilate
收藏资源简介：
Geometries of the S<sub>0,eq </sub>(S0_geom.csv), S<sub>1,eq</sub> (S1_geom.csv), and D<sup>+</sup><sub>0,eq</sub> (D0+_geom.csv) states of MA contain atom labels (<em>e.g.</em> C) and Cartesian coordinates in four columns; distances are in Angstroms (Å). All TR-PES transients are formatted as comma separated variable text files: each column is the photoelectron intensity at one time delay (labeled in the first row) with one eKE value per row (labeled in the first column). Files are labeled with the molecule, pump wavelength, probe wavelength, and a date (<em>e.g</em>. MA_344_285_18June2018.csv). The MATLAB code used to calculate the wavepacket “transients” is also contained herein as wavepacket.m. The code takes user inputs such as the Franck-Condon factors and laser pulse spectral characteristics. The LIF spectrum of photoexcited MA (MA_LIF.csv) is also presented as two columns: pump photon energy and LIF intensity.
