| NCI-ELMO: A New Method To Quickly and Accurately Detect Noncovalent Interactions in Biosystems D Arias-Olivares, EK Wieduwilt, J Contreras-García, A Genoni Journal of chemical theory and computation 15 (11), 6456-6470, 2019 | 27 | 2019 |
| Effects of the acceptor unit in dyes with acceptor–bridge–donor architecture on the electron photo-injection mechanism and aggregation in DSSCs X Zarate, F Claveria-Cadiz, D Arias-Olivares, A Rodriguez-Serrano, ... Physical Chemistry Chemical Physics 18 (35), 24239-24251, 2016 | 24 | 2016 |
| 14 Visualizing non-covalent interactions with NCIPLOT R Laplaza, F Peccati, D Arias-Olivares, J Contreras-García Complementary Bonding Analysis, 353, 2021 | 23* | 2021 |
| Analysis of the electronic delocalization in some isoelectronic analogues of B 12 doped with beryllium and/or carbon R Islas, D Inostroza, D Arias-Olivares, B Zúñiga-Gutiérrez, J Poater, ... Physical Chemistry Chemical Physics, 2020 | 15 | 2020 |
| Formation of complex organic molecules in ice mantles: An ab initio molecular dynamics study N Inostroza, D Mardones, J Cernicharo, H Zinnecker, J Ge, N Aria, ... Astronomy & Astrophysics 629, A28, 2019 | 9 | 2019 |
| The role of Cr, Mo and W in the electronic delocalization and the metal–ring interaction in metallocene complexes D Arias-Olivares, D Páez-Hernández, R Islas New Journal of Chemistry 42 (7), 5334-5344, 2018 | 9 | 2018 |
| In Silico Analysis of the Electronic Delocalization in Some Double Fused-Ring Metallabenzenes D Arias-Olivares, A Becerra-Buitrago, LC García-Sánchez, R Islas ACS omega 6 (14), 9887-9897, 2021 | 4* | 2021 |
| Synthesis, characterization, in-vitro biological evaluation and theoretical studies of 1, 2, 3-triazoles derived from triclosan as difenoconazole analogues J Suárez-García, MA Cano-Herrera, A María-Gaviria, ... Journal of Molecular Structure 1280, 135053, 2023 | 3 | 2023 |
| The spin–orbit effects on platinabenzene: a ring current and electron delocalization approach D Arias-Olivares, D Páez-Hernández New Journal of Chemistry 46 (35), 16708-16716, 2022 | 3 | 2022 |
| Theoretical approach to the one-step versus two-step spin transitions in Hofmann-like FeII SCO metal-organic frameworks D Arias-Olivares, R Sánchez-de-Armas, CJ Calzado Materials Today Chemistry 30, 101489, 2023 | 2 | 2023 |
| Metallaborazines: To Be or Not To Be Delocalized R Islas, D Arias-Olivares, A Becerra-Buitrago, LC García-Sánchez, ... ACS omega 6 (30), 19629-19641, 2021 | 1 | 2021 |
| In Silico Analysis of the Aromaticity of Some Carbo-Metallabenzenes and Carbo-Dimetallabenzenes (Carbo-mers Proposed from Metallabenzenes) D Arias-Olivares, A Becerra-Buitrago, LC García-Sánchez, DV Moreno, ... ACS omega 9 (9), 10913-10928, 2024 | | 2024 |
| Quantum Effects Explain the Twist Angle in the Helical Structure of DNA J Jerbi, RF Fink, J Peña‐García, D Arias‐Olivares, J Contreras‐García, ... ChemPhysChem, e202400372, 2024 | | 2024 |
| Guest-dependent spin transitions in Hofmann-like Fe II SCO metal–organic frameworks: hints from quantum chemistry calculations D Arias-Olivares, RS de Armas, CJ Calzado Journal of Materials Chemistry C, 2024 | | 2024 |
| New Developments in the Non Covalent Interaction (NCI) Index T Novoa, F Peccati, M Alonso, D Arias-Olivares, H Bohorquez, ... Elsevier, 2023 | | 2023 |
| NCI-ELMO: towards a more quantitative description of non-covalent interactions in macromolecules EK Wieduwilt, R Laplaza, G Macetti, D Arias-Olivares, F Peccati, ... Acta Crystallographica Section A: Foundations and Advances 77, C120-C120, 2021 | | 2021 |
| Relation Among Localization, Delocalization and Physicochemical Properties. From Electron Density Databases to Magnetic Properties DA Olivares Sorbonne Université; Universidad Andrés Bello (Santiago), 2019 | | 2019 |
Rafael IslasUniversidad Andres BelloVerified email at unab.cl
