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 | 102 | 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 | 71 | 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 | 65 | 2018 |
Which NICS method is most consistent with ring current analysis? Assessment in simple monocycles R Báez-Grez, L Ruiz, R Pino-Rios, W Tiznado RSC advances 8 (24), 13446-13453, 2018 | 64 | 2018 |
Exploiting electronic strategies to stabilize a planar tetracoordinate carbon in cyclic aromatic hydrocarbons O Yañez, A Vásquez-Espinal, R Pino-Rios, F Ferraro, S Pan, E Osorio, ... Chemical communications 53 (89), 12112-12115, 2017 | 48 | 2017 |
B12N12 cluster as a collector of noble gases: A quantum chemical study R Pino-Rios, E Chigo-Anota, E Shakerzadeh, G Cárdenas-Jirón Physica E: Low-dimensional Systems and Nanostructures 115, 113697, 2020 | 39 | 2020 |
Aromaticity in heterocyclic analogues of benzene: Dissected NICS and current density analysis R Báez‐Grez, WA Rabanal‐León, L Alvarez‐Thon, L Ruiz, W Tiznado, ... Journal of Physical Organic Chemistry 32 (1), e3823, 2019 | 34 | 2019 |
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 | 33 | 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 | 24 | 2021 |
Acenes and phenacenes in their lowest-lying triplet states. Does kinked remain more stable than straight? R Pino-Rios, R Báez-Grez, M Sola Physical Chemistry Chemical Physics 23 (24), 13574-13582, 2021 | 23 | 2021 |
The boron nitride (B116N124) fullerene: Stability and electronic properties from DFT simulations AR Juárez, F Ortiz-Chi, R Pino-Ríos, G Cárdenas-Jirón, MS Villanueva, ... Chemical Physics Letters 741, 137097, 2020 | 23 | 2020 |
Neither too Classic nor too exotic: One‐electron Na· B Bond in NaBH3‐Cluster R Pino-Rios, D Inostroza, W Tiznado Angewandte Chemie International Edition, 2021 | 19 | 2021 |
New Insights into Re3(μ-Cl)3Cl6 Aromaticity. Evidence of σ- and π-Diatropicity A Vásquez-Espinal, R Pino-Rios, L Alvarez-Thon, WA Rabanal-León, ... The Journal of Physical Chemistry Letters 6 (21), 4326-4330, 2015 | 19 | 2015 |
The influence of antenna and anchoring moieties on the improvement of photoelectronic properties in Zn (ii)–porphyrin–TiO 2 as potential dye-sensitized solar cells R Urzúa-Leiva, R Pino-Rios, G Cárdenas-Jirón Physical Chemistry Chemical Physics 21 (8), 4339-4348, 2019 | 18 | 2019 |
The relative stability of indole isomers is a consequence of the glidewell-Lloyd rule R Pino-Rios, M Sola The Journal of Physical Chemistry A 125 (1), 230-234, 2020 | 17 | 2020 |
Insights into the hydrogen dissociation mechanism on lithium edge-decorated carbon rings and graphene nanoribbon A Vásquez-Espinal, R Pino-Rios, P Fuentealba, W Orellana, W Tiznado international journal of hydrogen energy 41 (13), 5709-5715, 2016 | 17 | 2016 |
Topological analysis of the fukui function P Fuentealba, C Cardenas, R Pino-Rios, W Tiznado Applications of topological methods in molecular chemistry, 227-241, 2016 | 17 | 2016 |
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 | 16 | 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 | 15 | 2017 |
Borataalkene or Boratabenzene? Understanding the aromaticity of 9-borataphenanthrene anion and its central ring R Báez-Grez, R Pino-Rios New Journal of Chemistry, 2020 | 14 | 2020 |