Open AccessIntegration of Quantum Chemistry, Statistical Mechanics, and Artificial Intelligence for Computational Spectroscopy: The UV–Vis Spectrum of TEMPO Radical in Different Solvents
Author(s) -
Emanuele Falbo,
Marco Fusè,
Federico Lazzari,
Giordano Mancini,
Vincenzo Barone
Publication year - 2022
Publication title -
journal of chemical theory and computation
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 2.001
H-Index - 185
eISSN - 1549-9626
pISSN - 1549-9618
DOI - 10.1021/acs.jctc.2c00654
Subject(s) - computer science , statistical physics , chemistry , dimensionality reduction , chromophore , cluster analysis , robustness (evolution) , solvation , computational chemistry , physics , artificial intelligence , molecule , organic chemistry , biochemistry , gene