Detalhe da pesquisa
1.
Importance of Engineered and Learned Molecular Representations in Predicting Organic Reactivity, Selectivity, and Chemical Properties.
Acc Chem Res
; 54(4): 827-836, 2021 02 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-33534534
2.
Bottom-Up Atomistic Descriptions of Top-Down Macroscopic Measurements: Computational Benchmarks for Hammett Electronic Parameters.
ACS Phys Chem Au
; 4(3): 259-267, 2024 May 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-38800724