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Renato Orenha, Ph.D. - Publications

Affiliations: 
2014-2017 Chemistry & Pharmaceutical Sciences University of São Paolo - Ribeirão Preto, Vrije Universiteit Amsterdam 
 2018- Sciences Universidade de Franca 
Area:
Chemical Bonding; Theoretical Chemistry
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29 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Orenha RP, Caramori GF, Parreira RLT, Munoz-Castro A. The use of molecular electronic structure methods to investigate mechanically interlocked molecules. Physical Chemistry Chemical Physics : Pccp. PMID 37436121 DOI: 10.1039/d3cp02275g  0.766
2023 Orenha RP, Borges A, de Oliveira Andrade AL, Ferreira SE, Furtado SSP, Glitz VA, Caramori GF, Parreira RLT. Cation recognition controlled by protonation or chemical reduction: a computational study. Physical Chemistry Chemical Physics : Pccp. PMID 37249495 DOI: 10.1039/d3cp01175e  0.772
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  0.732
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  0.683
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  0.697
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  0.729
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  0.72
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  0.802
2020 Caramori GF, Østrøm I, Ortolan AO, Nagurniak GR, Besen VM, Muñoz-Castro A, Orenha RP, Parreira RLT, Galembeck SE. The usefulness of energy decomposition schemes to rationalize host-guest interactions. Dalton Transactions (Cambridge, England : 2003). PMID 33216076 DOI: 10.1039/d0dt03518a  0.77
2020 Ortolan AO, Caramori GF, Parreira RLT, Orenha RP, Muñoz-Castro A, Frenking G. The bonding situation in heteromultimetallic carbonyl complexes. Dalton Transactions (Cambridge, England : 2003). PMID 33166376 DOI: 10.1039/d0dt02916e  0.775
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  0.789
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  0.701
2020 Vieira TM, Orenha RP, Crevelin EJ, Furtado SSP, Vessecchi R, Parreira RLT, Crotti AEM. Electrospray ionization tandem mass spectrometry of monoketone curcuminoids. Rapid Communications in Mass Spectrometry : Rcm. 34: e8699. PMID 31845428 DOI: 10.1002/rcm.8699  0.609
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  0.705
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  0.775
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  0.797
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  0.755
2020 Coimbra DF, Ortolan AO, Orenha RP, da Silva VB, Parreira RLT, Caramori GF. Shedding light on the bonding situation of triangular and square heterometallic clusters: computational insight New Journal of Chemistry. 44: 5079-5087. DOI: 10.1039/C9Nj05968G  0.709
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  0.74
2019 Orenha RP, Caramori GF, Misturini A, Galembeck SE. Shedding light on the electronic structure of [Ru(η-CH)(NH)] complex: a computational insight. Journal of Molecular Modeling. 25: 11. PMID 30607601 DOI: 10.1007/S00894-018-3882-6  0.81
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  0.7
2019 Orenha RP, Galembeck SE. How does the pH influences the Ru‐NO coordination compounds? International Journal of Quantum Chemistry. 119. DOI: 10.1002/QUA.25999  0.574
2018 Orenha RP, Vessecchi R, Galembeck SE. The influence of the negative hyperconjugation is relevant for the analysis of the π-π* conjugation with the mono-substitution and di-substitution of H2C= by O= and/or HN= in trans-buta-1,3-diene? Structural Chemistry. 29: 847-857. DOI: 10.1007/s11224-017-1070-4  0.593
2017 Orenha RP, Rocha MVJ, Poater J, Galembeck SE, Bickelhaupt FM. Nature of the Ru-NO Coordination Bond: Kohn-Sham Molecular Orbital and Energy Decomposition Analysis. Chemistryopen. 6: 410-416. PMID 28638774 DOI: 10.1002/Open.201700028  0.73
2017 Orenha RP, Santiago RT, Haiduke RL, Galembeck SE. How computational methods and relativistic effects influence the study of chemical reactions involving Ru-NO complexes? Journal of Computational Chemistry. PMID 28211066 DOI: 10.1002/jcc.24762  0.621
2017 Galembeck SE, Caramori GF, Misturini A, Garcia LC, Orenha RP. Metal–Ligand Bonding Situation in Ruthenophanes Containing Multibridged Cyclophanes Organometallics. 36: 3465-3470. DOI: 10.1021/Acs.Organomet.7B00393  0.782
2016 Orenha RP, San Gregorio LR, Galembeck SE. Computational study of the interaction between NO, NO, and NO with HO. Journal of Molecular Modeling. 22: 276. PMID 27783233 DOI: 10.1007/s00894-016-3148-0  0.707
2014 Orenha RP, Vessecchi R, Galembeck SE. The resonance of cation and anion radicals with multiple conjugated bonds Structural Chemistry. 26: 365-373. DOI: 10.1007/s11224-014-0490-7  0.619
2012 Orenha RP, Galembeck SE, Parreira RLT. Resonance in compounds with multiple conjugated bonds Structural Chemistry. 24: 1153-1162. DOI: 10.1007/s11224-012-0138-4  0.616
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