Too persistent to give up: Aromaticity in boron clusters survives radical structural changes J Poater, C Viñas, I Bennour, S Escayola, M Solà, F Teixidor Journal of the American Chemical Society 142 (20), 9396-9407, 2020 | 191 | 2020 |
Axial ligand effects of Ru‐bda complexes in the O–O bond formation via the I2M bimolecular mechanism in water oxidation catalysis CJ Richmond, S Escayola, A Poater European Journal of Inorganic Chemistry 2019 (15), 2101-2108, 2019 | 39 | 2019 |
% V Bur index and steric maps: from predictive catalysis to machine learning S Escayola, N Bahri-Laleh, A Poater Chemical Society Reviews, 2024 | 38 | 2024 |
Single─Not Double─3D-Aromaticity in an Oxidized Closo Icosahedral Dodecaiodo-Dodecaborate Cluster J Poater, S Escayola, A Poater, F Teixidor, H Ottosson, C Viñas, M Solà Journal of the American Chemical Society 145 (41), 22527-22538, 2023 | 30 | 2023 |
Guidelines for Tuning the Excited State Hückel–Baird Hybrid Aromatic Character of Pro‐Aromatic Quinoidal Compounds S Escayola, C Tonnelé, E Matito, A Poater, H Ottosson, M Solà, ... Angewandte Chemie International Edition 60 (18), 10255-10265, 2021 | 30 | 2021 |
Knölker Iron Catalysts for Hydrogenation Revisited: A Nonspectator Solvent and Fine-Tuning M Gimferrer, N Joly, S Escayola, E Viñas, S Gaillard, M Solà, JL Renaud, ... Organometallics 41 (10), 1204-1215, 2022 | 25 | 2022 |
An unprecedented π-electronic circuit involving an odd number of carbon atoms in a grossly warped non-planar nanographene S Escayola, A Poater, A Muñoz-Castro, M Sola Chemical Communications 57 (25), 3087-3090, 2021 | 23 | 2021 |
Mechanism of the facile nitrous oxide fixation by homogeneous ruthenium hydride pincer catalysts S Escayola, M Solà, A Poater Inorganic Chemistry 59 (13), 9374-9383, 2020 | 17 | 2020 |
Effect of exocyclic substituents and π-system length on the electronic structure of chichibabin diradical (oid) s S Escayola, M Callís, A Poater, M Solà ACS omega 4 (6), 10845-10853, 2019 | 16 | 2019 |
Enhancement of Knölker Iron Catalysts for Imine Hydrogenation by Predictive Catalysis: From Calculations to Selective Experiments N Joly, M Gimferrer, S Escayola, M Cendra, S Coufourier, JF Lohier, ... Organometallics 42 (14), 1784-1792, 2023 | 13 | 2023 |
Understanding Aromaticity in [5] Helicene-Bridged Cyclophanes: A Comprehensive Study M Orozco-Ic, L Soriano-Agueda, S Escayola, D Sundholm, G Merino, ... The Journal of Organic Chemistry 89 (4), 2459-2466, 2024 | 8 | 2024 |
In the quest of Hückel–Hückel and Hückel–Baird double aromatic tropylium (tri) cation and anion derivatives S Escayola, N Proos Vedin, A Poater, H Ottosson, M Solà Journal of Physical Organic Chemistry 36 (1), e4447, 2023 | 7 | 2023 |
Chelation enforcing a dual gold configuration in the catalytic hydroxyphenoxylation of alkynes S Escayola, J Poater, M Ramos, JA Luque‐Urrutia, J Duran, S Simon, ... Applied Organometallic Chemistry 35 (10), e6362, 2021 | 7 | 2021 |
Ni (i)–TPA stabilization by hydrogen bond formation on the second coordination sphere: a DFT characterization S Posada-Pérez, S Escayola, J Poater, M Solà, A Poater Dalton Transactions 51 (33), 12585-12595, 2022 | 4 | 2022 |
A non expected alternative Ni (0) Species in the Ni‐Catalytic Aldehyde and Alcohol Arylation Reactions Facilitated by a 1, 5‐Diaza‐3, 7‐diphosphacyclooctane Ligand J Heitkämper, S Posada, S Escayola, M Solà, J Kästner, A Poater Chemistry–A European Journal, 2023 | 3 | 2023 |
Fluxional bis (phenoxy-imine) Zr and Ti catalysts for polymerization S Escayola, A Brotons-Rufes, N Bahri-Laleh, F Ragone, L Cavallo, M Solà, ... Theoretical Chemistry Accounts 140 (5), 49, 2021 | 3 | 2021 |
The n, π* States of Heteroaromatics: When are They the Lowest Excited States and in What Way Can They Be Aromatic or Antiaromatic? NP Vedin, S Escayola, S Radenković, M Solà, H Ottosson The Journal of Physical Chemistry. a 128 (22), 4493, 2024 | 2 | 2024 |
Unveiling the quantum secrets of triel metal triangles: a tale of stability, aromaticity, and relativistic effects S Escayola, E Jimenez-Izal, E Matito, JM Ugalde, R Grande-Aztatzi, ... Physical Chemistry Chemical Physics 26 (16), 12619-12627, 2024 | 2 | 2024 |
From (sub) porphyrins to (sub) phthalocyanines: aromaticity signatures in the UV–vis absorption spectra S Escayola, J Labella, DW Szczepanik, A Poater, T Torres, M Solà, ... Inorganic Chemistry 63 (39), 18251-18262, 2024 | | 2024 |
Towards A Systematics for the Lowest Excited States of Heteroaromatics Enabled via Cyclic π-Conjugated Carbenes and Heteroelement Analogues N Proos Vedin, JM Toldo, S Escayola, S Radenković, M Solà, H Ottosson | | 2024 |