Franco LR - Search Results

1

Understanding Nonlinear Optical Phenomena in N-Pyrimidinyl Stilbazolium Crystals via a Self-Consistent Electrostatic Embedding - DFT Approach.

Medeiros R, Franco LR, Osório FAP, Valverde C, Castro MA, Fonseca TL. Medeiros R, et al. Among authors: franco lr. ACS Omega. 2024 Jul 9;9(29):32080-32088. doi: 10.1021/acsomega.4c04215. eCollection 2024 Jul 23. ACS Omega. 2024. PMID: 39072117 Free PMC article.

2

Applicability of DFT functionals for evaluating the first hyperpolarizability of phenol blue in solution.

Brandão I, Fonseca TL, Franco LR, Georg HC, Castro MA. Brandão I, et al. Among authors: franco lr. J Chem Phys. 2021 Mar 7;154(9):094501. doi: 10.1063/5.0033134. J Chem Phys. 2021. PMID: 33685136

3

Theoretical investigation on the linear and nonlinear optical properties of DAPSH crystal.

Valverde C, Medeiros R, Franco LR, Osório FAP, Castro MA, Fonseca TL. Valverde C, et al. Among authors: franco lr. Sci Rep. 2023 May 27;13(1):8616. doi: 10.1038/s41598-023-35442-8. Sci Rep. 2023. PMID: 37244899 Free PMC article.

4

Elucidating the conformational change and electronic absorption spectrum of p-dimethylamino-cinnamaldehyde merocyanine across different solvent polarities.

Franco LR, Fonseca TL, Coutinho K, Georg HC. Franco LR, et al. J Chem Phys. 2023 Aug 21;159(7):074303. doi: 10.1063/5.0158994. J Chem Phys. 2023. PMID: 37594066

5

Confirming the relationship between first hyperpolarizability and the bond length alternation coordinate for merocyanine dyes.

Brandão I, Franco LR, Fonseca TL, Castro MA, Georg HC. Brandão I, et al. Among authors: franco lr. J Chem Phys. 2017 Jun 14;146(22):224505. doi: 10.1063/1.4985672. J Chem Phys. 2017. PMID: 29166085

6

Elucidating the structure of merocyanine dyes with the ASEC-FEG method. Phenol blue in solution.

Franco LR, Brandão I, Fonseca TL, Georg HC. Franco LR, et al. J Chem Phys. 2016 Nov 21;145(19):194301. doi: 10.1063/1.4967290. J Chem Phys. 2016. PMID: 27875890

7

Unveiling the Three-Step Model for the Interaction of Imidazolium-Based Ionic Liquids on Albumin.

Raw J, Franco LR, de C Rodrigues LF, Barbosa LRS. Raw J, et al. Among authors: franco lr. ACS Omega. 2023 Oct 5;8(41):38101-38110. doi: 10.1021/acsomega.3c04188. eCollection 2023 Oct 17. ACS Omega. 2023. PMID: 37867681 Free PMC article.

8

Unraveling the Impact of Flexibility and Solvent Effects on the UV-Vis Absorption Spectrum of Subphthalocyanine in Liquid Chloroform within the Born-Oppenheimer Molecular Dynamics Approach.

Franco LR, Cardenuto MH. Franco LR, et al. J Phys Chem A. 2023 Sep 28;127(38):7937-7942. doi: 10.1021/acs.jpca.3c04711. Epub 2023 Sep 13. J Phys Chem A. 2023. PMID: 37703093

9

Calculation of the one- and two-photon absorption spectra of water-soluble stilbene derivatives using a multiscale QM/MM approach.

Ramos TN, Franco LR, Silva DL, Canuto S. Ramos TN, et al. Among authors: franco lr. J Chem Phys. 2023 Jul 14;159(2):024309. doi: 10.1063/5.0152308. J Chem Phys. 2023. PMID: 37439475

10

Unveiling the impact of exchange-correlation functionals on the description of key electronic properties of non-fullerene acceptors in organic photovoltaics.

Franco LR, Marchiori C, Araujo CM. Franco LR, et al. J Chem Phys. 2023 Nov 28;159(20):204110. doi: 10.1063/5.0163180. J Chem Phys. 2023. PMID: 38018752

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