de Queiroz TB - Search Results

1

Assessing density functional theory in real-time and real-space as a tool for studying bacteriochlorophylls and the light-harvesting complex 2.

Schelter I, Foerster JM, Gardiner AT, Roszak AW, Cogdell RJ, Ullmann GM, de Queiroz TB, Kümmel S. Schelter I, et al. Among authors: de queiroz tb. J Chem Phys. 2019 Oct 7;151(13):134114. doi: 10.1063/1.5116779. J Chem Phys. 2019. PMID: 31594320

2

Charge-transfer excitations in low-gap systems under the influence of solvation and conformational disorder: exploring range-separation tuning.

de Queiroz TB, Kümmel S. de Queiroz TB, et al. J Chem Phys. 2014 Aug 28;141(8):084303. doi: 10.1063/1.4892937. J Chem Phys. 2014. PMID: 25173010

3

Tuned range separated hybrid functionals for solvated low bandgap oligomers.

de Queiroz TB, Kümmel S. de Queiroz TB, et al. J Chem Phys. 2015 Jul 21;143(3):034101. doi: 10.1063/1.4926468. J Chem Phys. 2015. PMID: 26203008

4

First principles theoretical spectroscopy of methylene blue: Between limitations of time-dependent density functional theory approximations and its realistic description in the solvent.

de Queiroz TB, de Figueroa ER, Coutinho-Neto MD, Maciel CD, Tapavicza E, Hashemi Z, Leppert L. de Queiroz TB, et al. J Chem Phys. 2021 Jan 28;154(4):044106. doi: 10.1063/5.0029727. J Chem Phys. 2021. PMID: 33514105

5

Controlling the Activation Energy for Single-Ion Diffusion through a Hybrid Polyelectrolyte Matrix by Manipulating the Central Coordinate Semimetal Atom.

Ferrari VC, Alvim RS, de Queiroz TB, Dalpian GM, Souza FL. Ferrari VC, et al. Among authors: de queiroz tb. J Phys Chem Lett. 2019 Dec 19;10(24):7684-7689. doi: 10.1021/acs.jpclett.9b02928. Epub 2019 Dec 2. J Phys Chem Lett. 2019. PMID: 31763844

6

Magnetism in a 2D Hybrid Ruddlesden-Popper Perovskite through Charge Redistribution Driven by an Organic Functional Spacer.

Tofanello A, Freitas ALM, de Queiroz TB, Bonadio A, Martinho H, Souza JA. Tofanello A, et al. Among authors: de queiroz tb. J Phys Chem Lett. 2022 Feb 17;13(6):1406-1415. doi: 10.1021/acs.jpclett.1c04216. Epub 2022 Feb 4. J Phys Chem Lett. 2022. PMID: 35119272

7

Gold nanochannels oxidation by confined water.

Batista AM, de Queiroz TB, Antunes RA, Lanfredi AJC, Benvenho ARV, Bonvent JJ, Martinho H. Batista AM, et al. Among authors: de queiroz tb. RSC Adv. 2020 Oct 7;10(61):36980-36987. doi: 10.1039/d0ra05830k. eCollection 2020 Oct 7. RSC Adv. 2020. PMID: 35521283 Free PMC article.

8

Synthesis of Novel Periodic Mesoporous Organosilicas Containing 1,4,5,8-Naphthalenediimides within the Pore Walls and Their Reduction To Generate Wall-Embedded Free Radicals.

Castanheira B, Triboni ER, Andrade LDS, Trindade FJ, Otubo L, Teixeira ACSC, Politi MJ, de Queiroz TB, Brochsztain S. Castanheira B, et al. Among authors: de queiroz tb. Langmuir. 2018 Jul 17;34(28):8195-8204. doi: 10.1021/acs.langmuir.8b00220. Epub 2018 Jun 29. Langmuir. 2018. PMID: 29909638

9

Luminescent hybrid materials based on covalent attachment of Eu(III)-tris(bipyridinedicarboxylate) in the mesoporous silica host MCM-41.

Ilibi M, de Queiroz TB, Ren J, De Cola L, de Camargo AS, Eckert H. Ilibi M, et al. Among authors: de queiroz tb. Dalton Trans. 2014 Jun 14;43(22):8318-30. doi: 10.1039/c3dt52096j. Dalton Trans. 2014. PMID: 24730024

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