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 | 68 | 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 | 68 | 2018 |
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 | 35 | 2019 |
Carbon rings decorated with group 14 elements: New aromatic clusters containing planar tetracoordinate carbon O Yañez, A Vásquez-Espinal, R Báez-Grez, WA Rabanal-León, E Osorio, ... New Journal of Chemistry 43 (17), 6781-6785, 2019 | 33 | 2019 |
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 | 28 | 2021 |
Embedding a Planar Hypercoordinate Carbon Atom into a [4n+ 2] π‐System O Yañez, R Báez‐Grez, J Garza, S Pan, J Barroso, A Vásquez‐Espinal, ... ChemPhysChem 21 (2), 145-148, 2020 | 25 | 2020 |
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 | 24 | 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 | 18 | 2021 |
Borataalkene or boratabenzene? Understanding the aromaticity of 9-borataphenanthrene anions and its central ring R Báez-Grez, R Pino-Rios New Journal of Chemistry 44 (41), 18069-18073, 2020 | 15 | 2020 |
The hidden aromaticity in borazine R Báez-Grez, R Pino-Rios RSC advances 12 (13), 7906-7910, 2022 | 13 | 2022 |
Evaluation of slight changes in aromaticity through electronic and density functional reactivity theory-based descriptors R Báez-Grez, R Pino-Rios ACS omega 7 (25), 21939-21945, 2022 | 12 | 2022 |
Exploring the Potential Energy Surface of Trimetallic Deltahedral Zintl Ions: Lowest-Energy [Sn6Ge2Bi]3– and [(Sn6Ge2Bi)2]4– Structures R Báez-Grez, J Garza, A Vásquez-Espinal, E Osorio, WA Rabanal-León, ... Inorganic Chemistry 58 (15), 10057-10064, 2019 | 12 | 2019 |
Quantitative analysis of aromaticity in azines by means of dissected descriptors based on the magnetic criteria R Báez-Grez, L Arrué, R Pino-Rios Chemical Physics Letters 781, 138973, 2021 | 8 | 2021 |
Analysis of Local and Global Aromaticity in Si3C5 and Si4C8 Clusters. Aromatic Species Containing Planar Tetracoordinate Carbon JJ Torres-Vega, DR Alcoba, OB Oña, A Vásquez-Espinal, R Báez-Grez, ... Chemistry 3 (4), 1101-1112, 2021 | 7 | 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 |
Solid state morphology and size tuning of nanostructured platinum using macromolecular complexes C Diaz, ML Valenzuela, R Baez, M Segovia Journal of the Chilean Chemical Society 60 (4), 2716-2720, 2015 | 7 | 2015 |
Is azulene's local aromaticity and relative stability driven by the Glidewell–Lloyd rule? R Báez-Grez, RP Rios Physical Chemistry Chemical Physics 26 (15), 12162-12167, 2024 | 3 | 2024 |
Anti-electrostatic cation⋯ π-hole and cation⋯ lp-hole interactions are stabilized via collective interactions R Pino-Rios, R Báez-Grez, C Foroutan-Nejad Chemical Communications 60 (4), 400-403, 2024 | 3 | 2024 |
On the aromaticity and stability of benzynes in the ground and lowest‐lying triplet excited states R Báez‐Grez, R Pino‐Rios Journal of Computational Chemistry 45 (1), 6-12, 2024 | 1 | 2024 |
Exploring the viability of noble gas endohedral siladodecahedranes and its perhalogenated derivatives R Báez-Grez, A Vásquez-Espinal, O Yáñez, R Pino-Rios Journal of Molecular Structure 1291, 135967, 2023 | 1 | 2023 |