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Alexandre Osmar Ortolan
Alexandre Osmar Ortolan
Químico, Dr.
Verified email at posgrad.ufsc.br - Homepage
Title
Cited by
Cited by
Year
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
462018
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
332017
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
272018
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
252018
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
252015
Apostila de práticas de química computacional
AO Ortolan
Universidade Tecnológica Federal do Paraná, 2014
172014
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
142020
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
122015
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
112018
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
82019
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
82018
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
82016
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
72019
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
62019
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
52020
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
52017
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
52016
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
42020
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
42014
Shedding light on the bonding situation of triangular and square heterometallic clusters: Computational insight
DF Coimbra, AO Ortolan, RP Orenha, VB da Silva, RLT Parreira, ...
New Journal of Chemistry 44 (13), 5079-5087, 2020
32020
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