Caramori GF - Search Results

1

Cation recognition controlled by protonation or chemical reduction: a computational study.

Orenha RP, Borges A, de Oliveira Andrade AL, Ferreira SE, Furtado SSP, Glitz VA, Caramori GF, Parreira RLT. Orenha RP, et al. Among authors: caramori gf. Phys Chem Chem Phys. 2023 Jun 7;25(22):15518-15530. doi: 10.1039/d3cp01175e. Phys Chem Chem Phys. 2023. PMID: 37249495

2

The two faces of hydrogen-bond strength on triple AAA-DDD arrays.

Lopez AH, Caramori GF, Coimbra DF, Parreira RL, da Silva ÉH. Lopez AH, et al. Among authors: caramori gf. Chemphyschem. 2013 Dec 2;14(17):3994-4001. doi: 10.1002/cphc.201300639. Epub 2013 Oct 29. Chemphyschem. 2013. PMID: 24288287

3

Ru-NO and Ru-NO2 bonding linkage isomerism in cis-[Ru(NO)(NO)(bpy)2](2+/+) complexes - a theoretical insight.

Andriani KF, Caramori GF, Doro FG, Parreira RL. Andriani KF, et al. Among authors: caramori gf. Dalton Trans. 2014 Jun 21;43(23):8792-804. doi: 10.1039/c4dt00016a. Dalton Trans. 2014. PMID: 24781307

4

In vivo and in silico anti-inflammatory mechanism of action of the semisynthetic (-)-cubebin derivatives (-)-hinokinin and (-)-O-benzylcubebin.

Lima TC, Lucarini R, Volpe AC, de Andrade CQJ, Souza AMP, Pauletti PM, Januário AH, Símaro GV, Bastos JK, Cunha WR, Borges A, da Silva Laurentiz R, Conforti VA, Parreira RLT, Borges CHG, Caramori GF, Andriani KF, E Silva MLA. Lima TC, et al. Among authors: caramori gf. Bioorg Med Chem Lett. 2017 Jan 15;27(2):176-179. doi: 10.1016/j.bmcl.2016.11.081. Epub 2016 Nov 29. Bioorg Med Chem Lett. 2017. PMID: 27955811

5

How the electron-deficient cavity of heterocalixarenes recognizes anions: insights from computation.

Ortolan AO, Caramori GF, Matthias Bickelhaupt F, Parreira RLT, Muñoz-Castro A, Kar T. Ortolan AO, et al. Among authors: caramori gf. Phys Chem Chem Phys. 2017 Sep 20;19(36):24696-24705. doi: 10.1039/c7cp03925e. Phys Chem Chem Phys. 2017. PMID: 28861567

6

Tuning Heterocalixarenes to Improve Their Anion Recognition: A Computational Approach.

Ortolan AO, Østrøm I, Caramori GF, Parreira RLT, da Silva EH, Bickelhaupt FM. Ortolan AO, et al. Among authors: caramori gf. J Phys Chem A. 2018 Mar 29;122(12):3328-3336. doi: 10.1021/acs.jpca.8b01866. Epub 2018 Mar 20. J Phys Chem A. 2018. PMID: 29542924

7

Helicenes as Molecular Tweezers in the Formation of Cation-π Complexes. Bonding and Circular Dichroism Properties from Relativistic DFT Calculations.

Ortolan AO, Caramori GF, Parreira RLT, Muñoz-Castro A. Ortolan AO, et al. Among authors: caramori gf. Chemphyschem. 2018 Sep 18;19(18):2321-2330. doi: 10.1002/cphc.201800470. Epub 2018 Jul 10. Chemphyschem. 2018. PMID: 29904983

8

Shedding light on the electronic structure of [Ru(η⁶-C₁₆H₁₆)(NH₃)₃]²⁺ complex: a computational insight.

Orenha RP, Caramori GF, Misturini A, Galembeck SE. Orenha RP, et al. Among authors: caramori gf. J Mol Model. 2019 Jan 3;25(1):11. doi: 10.1007/s00894-018-3882-6. J Mol Model. 2019. PMID: 30607601

9

Are DFT Methods Able to Predict Reduction Potentials of Ruthenium Nitrosyl Complexes Accurately?

Coimbra DF, Cintra CH, Lourenço LCL, Parreira RLT, Orenha RP, Caramori GF. Coimbra DF, et al. Among authors: caramori gf. J Phys Chem A. 2020 Jul 30;124(30):6186-6192. doi: 10.1021/acs.jpca.0c03718. Epub 2020 Jul 21. J Phys Chem A. 2020. PMID: 32640791

10

What is the driving force behind molecular triangles and their guests? A quantum chemical perspective about host-guest interactions.

Nagurniak GR , Piotrowski MJ , Muñoz-Castro À , Cascaldi JBS , Parreira RLT , Caramori GF . Nagurniak GR , et al. Among authors: caramori gf. Phys Chem Chem Phys. 2020 Sep 14;22(34):19213-19222. doi: 10.1039/d0cp01821j. Epub 2020 Aug 19. Phys Chem Chem Phys. 2020. PMID: 32812576

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