Cucurbituril-Mediated Catalytic Hydrolysis: A Kinetic and Computational Study with Neutral and Cationic Dioxolanes in CB7 L Scorsin, JA Roehrs, RR Campedelli, GF Caramori, AO Ortolan, ... ACS Catalysis 8 (12), 12067-12079, 2018 | 50 | 2018 |
How the electron-deficient cavity of heterocalixarenes recognizes anions: insights from computation AO Ortolan, GF Caramori, FM Bickelhaupt, RLT Parreira, A Muñoz-Castro, ... Physical Chemistry Chemical Physics 19 (36), 24696-24705, 2017 | 36 | 2017 |
Anion recognition by organometallic calixarenes: analysis from relativistic DFT calculations AO Ortolan, I Øestrøm, GF Caramori, RLT Parreira, A Munoz-Castro, ... Organometallics 37 (13), 2167-2176, 2018 | 28 | 2018 |
Tuning heterocalixarenes to improve their anion recognition: a computational approach AO Ortolan, I Østrøm, GF Caramori, RLT Parreira, EH Da Silva, ... The Journal of Physical Chemistry A 122 (12), 3328-3336, 2018 | 27 | 2018 |
Role of the cation formal charge in cation–π interaction. A survey involving the [2.2. 2] paracyclophane host from relativistic DFT calculations AO Ortolan, GF Caramori, G Frenking, A Muñoz-Castro New Journal of Chemistry 39 (12), 9963-9968, 2015 | 26 | 2015 |
The usefulness of energy decomposition schemes to rationalize host–guest interactions GF Caramori, I Østrøm, AO Ortolan, GR Nagurniak, VM Besen, ... Dalton Transactions 49 (48), 17457-17471, 2020 | 20 | 2020 |
Apostila de práticas de química computacional AO Ortolan Universidade Tecnológica Federal do Paraná, 2014 | 16 | 2014 |
Ruthenium nitrosyl complexes containing pyridine-functionalized carbenes–A theoretical insight GF Caramori, AO Ortolan, RLT Parreira, EH da Silva Journal of Organometallic Chemistry 799, 54-60, 2015 | 13 | 2015 |
Helicenes as molecular tweezers in the formation of cation− π complexes. Bonding and circular dichroism properties from relativistic DFT calculations AO Ortolan, GF Caramori, RLT Parreira, A Muñoz‐Castro ChemPhysChem 19 (18), 2321-2330, 2018 | 12 | 2018 |
Understanding the interplay between π–π and cation–π interactions in [janusene–Ag]+ host–guest systems: a computational approach J Mucelini, I Østrøm, AO Ortolan, KF Andriani, GF Caramori, RLT Parreira, ... Dalton Transactions 48 (35), 13281-13292, 2019 | 10 | 2019 |
Quest for Insight into Ultrashort C–H··· π Proximities in Molecular “Iron Maidens” I Østrøm, AO Ortolan, FSS Schneider, GF Caramori, RLT Parreira The Journal of Organic Chemistry 83 (9), 5114-5122, 2018 | 9 | 2018 |
Hydrazine decomposition on a small platinum cluster: the role of N2H5 intermediate M Pelegrini, RLT Parreira, LFA Ferrão, GF Caramori, AO Ortolan, ... Theoretical Chemistry Accounts 135, 1-12, 2016 | 9 | 2016 |
In Silico Design of Cylindrophanes: The Role of Functional Groups in a Fluoride Selective Host I Østrøm, AO Ortolan, GF Caramori, M Mascal, A Muñoz‐Castro, ... ChemPhysChem 21 (17), 1989-2005, 2020 | 7 | 2020 |
Tracking the absence of anion–π interactions in modified [2 3](1, 3, 5) cyclophanes: Insights from computation A Misturini, AO Ortolan, GF Caramori, CH Cintra, RLT Parreira New Journal of Chemistry 43 (33), 13271-13281, 2019 | 7 | 2019 |
The nature of the central halide encapsulation in bambusuril hosts (BU [6]). Structural and interaction energy insights in BU [6]· X−(X= Cl, Br, I) from relativistic DFT … AO Ortolan, L Madureira, PL Rodríguez-Kessler, RG Maturana, CO Ulloa, ... Inorganica Chimica Acta 555, 121596, 2023 | 6 | 2023 |
On the cation–π capabilities of small all sp2‐carbon host structures. Evaluation of [6.8]3cyclacene from relativistic DFT calculations AO Ortolan, ND Charistos, R Guajardo‐Maturana, CO Ulloa, GF Caramori, ... International Journal of Quantum Chemistry 119 (4), e25811, 2019 | 6 | 2019 |
Chemical characteristics of fruits of two species of Physalis under nitrogen fertilization DJ BERTONCELLI, MC OLIVEIRA, CO BOLINA, AI PASSOS, AC ARIATI, ... African Journal of Agricultural Research 11 (20), 1872-1878, 2016 | 6 | 2016 |
The anionic recognition mechanism based on polyol and boronic acid receptors RP Orenha, CH Cintra, LB Peixoto, EH da Silva, GF Caramori, AO Ortolan, ... New Journal of Chemistry 44 (14), 5564-5571, 2020 | 4 | 2020 |
Metal-ligand bonding situation in ruthenophanes containing i, j-xylylene-linked bis (NHC) cyclophane ligands AO Ortolan, GF Caramori, LC Garcia, RLT Parreira, MVB Bento Journal of Organometallic Chemistry 830, 100-108, 2017 | 4 | 2017 |
Establishment and content of sugars and phenols in Physalis callus obtained from different explants and concentrations of bap and naa DJ Bertoncelli, M de Cacia Oliveira, AI dos Passos, AC Ariati, AO Ortolan, ... Acta Scientiarum. Biological Sciences 36 (1), 27-33, 2014 | 4 | 2014 |