Orbital-weighted dual descriptor for the study of local reactivity of systems with (quasi-) degenerate states R Pino-Rios, D Inostroza, G Cárdenas-Jirón, W Tiznado The Journal of Physical Chemistry A 123 (49), 10556-10562, 2019 | 130 | 2019 |
Proposal of a simple and effective local reactivity descriptor through a topological analysis of an orbital‐weighted fukui function R Pino‐Rios, O Yañez, D Inostroza, L Ruiz, C Cardenas, P Fuentealba, ... Journal of Computational Chemistry 38 (8), 481-488, 2017 | 100 | 2017 |
AUTOMATON: a program that combines a probabilistic cellular automata and a genetic algorithm for global minimum search of clusters and molecules O Yanez, R Báez-Grez, D Inostroza, WA Rabanal-León, R Pino-Rios, ... Journal of chemical theory and computation 15 (2), 1463-1475, 2018 | 75 | 2018 |
Planar hexacoordinate carbons: Half covalent, half ionic L Leyva‐Parra, L Diego, O Yañez, D Inostroza, J Barroso, ... Angewandte Chemie International Edition 60 (16), 8700-8704, 2021 | 70 | 2021 |
Evaluation of restricted probabilistic cellular automata on the exploration of the potential energy surface of Be6B11− O Yañez, D Inostroza, B Usuga-Acevedo, A Vásquez-Espinal, ... Theoretical Chemistry Accounts 139, 1-8, 2020 | 38 | 2020 |
On the NICS limitations to predict local and global current pathways in polycyclic systems D Inostroza, V García, O Yañez, JJ Torres-Vega, A Vásquez-Espinal, ... New Journal of Chemistry 45 (18), 8345-8351, 2021 | 36 | 2021 |
Kick–Fukui: a Fukui function-guided method for molecular structure prediction O Yañez, R Báez-Grez, D Inostroza, R Pino-Rios, WA Rabanal-León, ... Journal of chemical information and modeling 61 (8), 3955-3963, 2021 | 23 | 2021 |
Neither too Classic nor too Exotic: One‐Electron Na⋅B Bond in NaBH3− Cluster R Pino‐Rios, D Inostroza, W Tiznado Angewandte Chemie 133 (23), 12857-12863, 2021 | 22 | 2021 |
A Fukui function‐guided genetic algorithm. Assessment on structural prediction of Sin (n = 12–20) clusters O Yañez, A Vásquez‐Espinal, D Inostroza, L Ruiz, R Pino‐Rios, ... Journal of Computational Chemistry 38 (19), 1668-1677, 2017 | 18 | 2017 |
Planar Hypercoordinate Carbons in Alkali Metal Decorated CE32− and CE22− Dianions L Leyva‐Parra, L Diego, D Inostroza, O Yañez, R Pumachagua‐Huertas, ... Chemistry–A European Journal 27 (67), 16701-16706, 2021 | 17 | 2021 |
Persistent planar tetracoordinate carbon in global minima structures of silicon-carbon clusters L Leyva-Parra, D Inostroza, O Yañez, JC Cruz, J Garza, V García, ... Atoms 10 (1), 27, 2022 | 15 | 2022 |
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 22 (21), 12245-12259, 2020 | 15 | 2020 |
E 6 C 15 (E= Si–Pb): polycyclic aromatic compounds with three planar tetracoordinate carbons D Inostroza, L Leyva-Parra, A Vásquez-Espinal, J Contreras-García, ... Chemical Communications 58 (94), 13075-13078, 2022 | 13 | 2022 |
Aromaticity and magnetic behavior in benzenoids: unraveling ring current combinations L Leyva‐Parra, R Pino‐Rios, D Inostroza, M Solà, M Alonso, W Tiznado Chemistry–A European Journal 30 (1), e202302415, 2024 | 12 | 2024 |
Why an integrated approach between search algorithms and chemical intuition is necessary? VS Thimmakondu, A Sinjari, D Inostroza, P Vairaprakash, K Thirumoorthy, ... Physical Chemistry Chemical Physics 24 (19), 11680-11686, 2022 | 11 | 2022 |
Li8Si8, Li10Si9, and Li12Si10: Assemblies of Lithium‐Silicon Aromatic Units MF Manrique‐de‐la‐Cuba, L Leyva‐Parra, D Inostroza, B Gomez, ... ChemPhysChem 22 (10), 906-910, 2021 | 8 | 2021 |
Aromatic ouroboroi: heterocycles involving a σ-donor–acceptor bond and 4 n+ 2 π-electrons R Báez-Grez, D Inostroza, V García, A Vásquez-Espinal, KJ Donald, ... Physical Chemistry Chemical Physics 22 (4), 1826-1832, 2020 | 7 | 2020 |
Bowl‐shaped Cluster CuB12−: A Viable Global Minimum with Twofold Aromaticity J Solar‐Encinas, L Leyva‐Parra, O Yáñez, D Inostroza, ... ChemPhysChem 23 (19), e202200366, 2022 | 6 | 2022 |
Si6C18: A bispentalene derivative with two planar tetracoordinate carbons D Inostroza, L Leyva‐Parra, O Yañez, JC Cruz, J Garza, V García, ... International Journal of Quantum Chemistry 123 (1), e27008, 2023 | 4 | 2023 |
Revisiting the potential-energy surface of C n Be 3n+ 2 H 2n+ 2 2+(n= 2–4) clusters: are planar pentacoordinate carbon structures the global minima? D Inostroza, A Vásquez-Espinal, L Leyva-Parra, W García-Argote, ... Physical Chemistry Chemical Physics 25 (30), 20235-20240, 2023 | 4 | 2023 |