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Ina Oestroem
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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
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
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
Designing 3d metal oxides: selecting optimal density functionals for strongly correlated materials
I Østrøm, MA Hossain, PA Burr, JN Hart, B Hoex
Physical Chemistry Chemical Physics 24 (23), 14119-14139, 2022
72022
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
Opinion Mining by Convolutional Neural Networks for Maximizing Discoverability of Nanomaterials
BH Tong Xie, Yuwei Wan, Haoran Wang, Ina Østrøm, Shaozhou Wang, Mingrui He ...
Journal of Chemical Information and Modeling, 2023
22023
In-silico design of cage-type cyclophanes
IA Oestroem
2019
Reconhecimento Aniônico em Sistemas Supramoleculares: Estudo das Interações Não-Covalentes
AO Ortolan, I Oestroem, GF Caramori, RLT Parreira, A Muñoz-Castro, ...
III Semana da Pós-graduação em Química e XXIII Semana Acadêmica do curso de …, 2018
2018
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