Extending the Applicability of the Semi-experimental Approach by Means of “Template Molecule” and “Linear Regression” Models on Top of DFT Computations
Author:
Affiliation:
1. Scuola Normale Superiore, Piazza dei Cavalieri 7, 56126 Pisa, Italy
2. Dipartimento di Chimica “Giacomo Ciamician”, Università di Bologna, Via Selmi 2, 40126 Bologna, Italy
Funder
Ministero dell'Istruzione, dell'Universit?? e della Ricerca
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.1c07828
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