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Rodrigo Báez-Grez
Rodrigo Báez-Grez
Dirección de correo verificada de unap.cl
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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
632018
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
622018
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
342019
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
322019
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
242021
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
242020
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
222021
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
152021
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
142020
The hidden aromaticity in borazine
R Báez-Grez, R Pino-Rios
RSC advances 12 (13), 7906-7910, 2022
122022
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
122019
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
112022
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
82021
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
72021
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
72020
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
62015
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
12024
Is azulene's local aromaticity and relative stability driven by the Glidewell–Lloyd rule?
R Báez-Grez, RP Rios
Physical Chemistry Chemical Physics, 2024
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
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
2023
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