| Year |
Citation |
Score |
| 2023 |
Pereira Orenha R, Furtado SSP, Muñoz-Castro A, Piotrowski MJ, Caramori GF, Parreira RLT. Tuning Mechanically Interlocked Molecules to Recognize Anions and Cations: A Computational Study. Chemistry (Weinheim An Der Bergstrasse, Germany). e202203905. PMID 36847391 DOI: 10.1002/chem.202203905 |
0.373 |
|
| 2022 |
Felix JPCS, Batista KEA, Morais WO, Nagurniak GR, Orenha RP, Rêgo CRC, Guedes-Sobrinho D, Parreira RLT, Ferrer MM, Piotrowski MJ. Molecular adsorption on coinage metal subnanoclusters: A DFT+D3 investigation. Journal of Computational Chemistry. PMID 36576316 DOI: 10.1002/jcc.27063 |
0.68 |
|
| 2022 |
Guedes-Sobrinho D, Orenha RP, Parreira RLT, Nagurniak GR, Da Silva GR, Piotrowski MJ. The effect of different energy portions on the 2D/3D stability swapping for 13-atom metal clusters. Physical Chemistry Chemical Physics : Pccp. 24: 6515-6524. PMID 35257130 DOI: 10.1039/d2cp00148a |
0.645 |
|
| 2021 |
Piotrowski MJ, Orenha RP, Parreira RLT, Guedes-Sobrinho D. Assessment of the van der Waals, Hubbard U parameter and spin-orbit coupling corrections on the 2D/3D structures from metal gold congeners clusters. Journal of Computational Chemistry. PMID 34751955 DOI: 10.1002/jcc.26784 |
0.655 |
|
| 2021 |
Orenha RP, Peixoto LB, Caramori GF, Piotrowski MJ, de Araújo Batista KE, Contreras-Garcia J, Cardenas C, Morgon NH, Mendizabal F, Parreira RLT. Designing boron and metal complexes for fluoride recognition: a computational perspective. Physical Chemistry Chemical Physics : Pccp. 23: 22768-22778. PMID 34608898 DOI: 10.1039/d1cp02514g |
0.676 |
|
| 2021 |
Yonezawa AF, Nagurniak GR, Orenha RP, Silva EHD, Parreira RLT, Piotrowski MJ. Stability Changes in Iridium Nanoclusters via Monoxide Adsorption: A DFT Study within the van der Waals Corrections. The Journal of Physical Chemistry. A. 125: 4805-4818. PMID 34048257 DOI: 10.1021/acs.jpca.1c02694 |
0.672 |
|
| 2021 |
Orenha RP, da Silva VB, Caramori GF, Piotrowski MJ, Nagurniak GR, Parreira RLT. The design of anion-π interactions and hydrogen bonds for the recognition of chloride, bromide and nitrate anions. Physical Chemistry Chemical Physics : Pccp. PMID 33956017 DOI: 10.1039/d1cp00113b |
0.674 |
|
| 2020 |
Orenha RP, Nagurniak GR, Colaço MC, Caramori GF, Piotrowski MJ, de Araújo Batista KE, Muñoz-Castro A, de Almeida Silva B, Esteves BJ, Parreira RLT. The simultaneous recognition mechanism of cations and anions using macrocyclic-iodine structures: insights from dispersion-corrected DFT calculations. Physical Chemistry Chemical Physics : Pccp. 22: 23795-23803. PMID 33063797 DOI: 10.1039/d0cp04291a |
0.673 |
|
| 2020 |
de Amorim RV, Batista KEA, Nagurniak GR, Orenha RP, Parreira RLT, Piotrowski MJ. CO, NO, and SO adsorption on Ni nanoclusters: a DFT investigation. Dalton Transactions (Cambridge, England : 2003). 49: 6407-6417. PMID 32352455 DOI: 10.1039/d0dt00288g |
0.651 |
|
| 2020 |
Peraça CST, Nagurniak GR, Orenha RP, Parreira RLT, Piotrowski MJ. A theoretical indicator of transition-metal nanoclusters applied in the carbon nanotube nucleation process: a DFT study. Dalton Transactions (Cambridge, England : 2003). 49: 492-503. PMID 31834332 DOI: 10.1039/c9dt04272e |
0.655 |
|
| 2020 |
Orenha RP, da Silva VB, Caramori GF, de Souza Schneider FS, Piotrowski MJ, Contreras-Garcia J, Cardenas C, Briese Gonçalves M, Mendizabal F, Parreira RLT. On the recognition of chloride, bromide and nitrate anions by anthracene–squaramide conjugated compounds: a computational perspective New Journal of Chemistry. 44: 17831-17839. DOI: 10.1039/D0Nj03685D |
0.64 |
|
| 2020 |
Orenha RP, Silva GCG, Batista APdL, Filho AGSdO, Morgon NH, Silva VBd, Furtado SSP, Caramori GF, Piotrowski MJ, Parreira RLT. Tracking the role of trans-ligands in ruthenium–NO bond lability: computational insight New Journal of Chemistry. 44: 11448-11456. DOI: 10.1039/D0Nj01340D |
0.677 |
|
| 2020 |
Orenha RP, Cintra CH, Peixoto LB, da Silva ÉH, Caramori GF, Ortolan AO, Piotrowski MJ, Parreira RLT. The anionic recognition mechanism based on polyol and boronic acid receptors New Journal of Chemistry. 44: 5564-5571. DOI: 10.1039/C9Nj06200A |
0.609 |
|
| 2020 |
Orenha RP, Morgon NH, Contreras-García J, Silva GCG, Nagurniak GR, Piotrowski MJ, Caramori GF, Muñoz-Castro A, Parreira RLT. How does the acidic milieu interfere in the capability of ruthenium nitrosyl complexes to release nitric oxide? New Journal of Chemistry. 44: 773-779. DOI: 10.1039/C9Nj04643G |
0.59 |
|
| 2019 |
Nagurniak GR, Peraça CdST, Orenha RP, Parreira RLT, Piotrowski MJ. Double-bond elucidation for arsagermene with a tricoordinate germanium center: a theoretical survey New Journal of Chemistry. 43: 15681-15690. DOI: 10.1039/C9NJ03091C |
0.625 |
|
| 2018 |
Piotrowski MJ, Nagurniak GR, Silva EHD, Parreira RLT. Bare versus protected tetrairidium clusters by density functional theory. Physical Chemistry Chemical Physics : Pccp. PMID 30456409 DOI: 10.1039/c8cp05263h |
0.349 |
|
| 2016 |
Batista KE, Piotrowski MJ, Chaves AS, Da Silva JL. A theoretical investigation of the structural and electronic properties of 55-atom nanoclusters: The examples of Y-Tc and Pt. The Journal of Chemical Physics. 144: 054310. PMID 26851924 DOI: 10.1063/1.4941295 |
0.319 |
|
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