Seeking the Optimal Descriptor for SN2 Reactions through Statistical Analysis of Density Functional Theory Results L Morán-González, M Besora, F Maseras The Journal of Organic Chemistry 87 (1), 363-372, 2021 | 9 | 2021 |
Understanding the Binding Properties of N‐heterocyclic Carbenes through BDE Matrix App L Morán‐González, JRG Pedregal, M Besora, F Maseras European Journal of Inorganic Chemistry 2022 (3), e202100932, 2022 | 5 | 2022 |
A computational search of the ideal metal fragment for monohapto coordination of dihydrogen L Morán-González, F Maseras Australian Journal of Chemistry 76 (12), 885-892, 2023 | 1 | 2023 |
Hidden descriptors: Using statistical treatments to generate better descriptor sets L Morán-González, F Maseras Artificial Intelligence Chemistry 2 (1), 100061, 2024 | | 2024 |
AABBA: Atom–Atom Bond–Bond Bond–Atom Graph Kernel for Machine Learning on Molecules and Materials L Morán-González, JE Betten, H Kneiding, D Balcells | | 2023 |
Selective C− H Bond Functionalization of Unprotected Indoles by Donor‐Acceptor Carbene Insertion J Diego Pizarro, L Morán‐González, I González‐Fernández, F Maseras, ... Advanced Synthesis & Catalysis 366, 844-851, 2023 | | 2023 |
Decoding Chemical Processes: The Power of Data-Driven Descriptors L Morán González Universitat Rovira i Virgili, 0 | | |