Castro PJ - Search Results

1

Intramolecular Charge Transfer in 4-Aminobenzonitrile Does Not Need the Twist and May Not Need the Bend.

Perveaux A, Castro PJ, Lauvergnat D, Reguero M, Lasorne B. Perveaux A, et al. Among authors: castro pj. J Phys Chem Lett. 2015 Apr 16;6(8):1316-20. doi: 10.1021/acs.jpclett.5b00162. Epub 2015 Mar 27. J Phys Chem Lett. 2015. PMID: 26263129

2

Computational study of the mechanism of the photochemical and thermal ring-opening/closure reactions and solvent dependence in spirooxazines.

Castro PJ, Gómez I, Cossi M, Reguero M. Castro PJ, et al. J Phys Chem A. 2012 Aug 9;116(31):8148-58. doi: 10.1021/jp3025045. Epub 2012 Jul 31. J Phys Chem A. 2012. PMID: 22708964

3

Insight into the mechanisms of luminescence of aminobenzonitrile and dimethylaminobenzonitrile in polar solvents. An ab initio study.

Gómez I, Castro PJ, Reguero M. Gómez I, et al. Among authors: castro pj. J Phys Chem A. 2015 Mar 12;119(10):1983-95. doi: 10.1021/acs.jpca.5b01421. Epub 2015 Feb 27. J Phys Chem A. 2015. PMID: 25679323

4

The mechanism behind the photochromism and photomagnetism of type II biindenylidenediones: multiconfigurational, perturbative and density functional theory studies.

Castro PJ , Reguero M . Castro PJ , et al. Phys Chem Chem Phys. 2021 Aug 28;23(32):17453-17465. doi: 10.1039/d1cp01692j. Epub 2021 Aug 6. Phys Chem Chem Phys. 2021. PMID: 34355231

5

Exploring the Potential of Metal-Organic Frameworks for the Separation of Blends of Fluorinated Gases with High Global Warming Potential.

Sosa JE, Malheiro C, Castro PJ, Ribeiro RPPL, Piñeiro MM, Plantier F, Mota JPB, Araújo JMM, Pereiro AB. Sosa JE, et al. Among authors: castro pj. Glob Chall. 2022 Oct 21;7(1):2200107. doi: 10.1002/gch2.202200107. eCollection 2023 Jan. Glob Chall. 2022. PMID: 36618101 Free PMC article.

6

Together, Not Separately, OH and O₃ Oxidize Hg⁽⁰⁾ to Hg^(II) in the Atmosphere.

Castro PJ, Kellö V, Cernušák I, Dibble TS. Castro PJ, et al. J Phys Chem A. 2022 Nov 10;126(44):8266-8279. doi: 10.1021/acs.jpca.2c04364. Epub 2022 Nov 2. J Phys Chem A. 2022. PMID: 36321380

7

Combined Experimental and Computational Kinetics Studies for the Atmospherically Important BrHg Radical Reacting with NO and O₂.

Wu R, Castro PJ, Gaito C, Beiter K, Dibble TS, Wang C. Wu R, et al. Among authors: castro pj. J Phys Chem A. 2022 Jun 23;126(24):3914-3925. doi: 10.1021/acs.jpca.2c02531. Epub 2022 Jun 10. J Phys Chem A. 2022. PMID: 35686857

8

Improved Mechanistic Model of the Atmospheric Redox Chemistry of Mercury.

Shah V, Jacob DJ, Thackray CP, Wang X, Sunderland EM, Dibble TS, Saiz-Lopez A, Černušák I, Kellö V, Castro PJ, Wu R, Wang C. Shah V, et al. Among authors: castro pj. Environ Sci Technol. 2021 Nov 2;55(21):14445-14456. doi: 10.1021/acs.est.1c03160. Epub 2021 Aug 17. Environ Sci Technol. 2021. PMID: 34724789 Free article.

9

Impact of fenbendazole resistance in Ascaridia dissimilis on the economics of production in turkeys.

Collins JB, Jordan B, Vidyashankar AN, Castro PJ, Fowler J, Kaplan RM. Collins JB, et al. Among authors: castro pj. Poult Sci. 2021 Nov;100(11):101435. doi: 10.1016/j.psj.2021.101435. Epub 2021 Aug 27. Poult Sci. 2021. PMID: 34619579 Free PMC article.

10

Tailor-Made Fluorinated Ionic Liquids for Protein Delivery.

Vieira NSM, Castro PJ, Marques DF, Araújo JMM, Pereiro AB. Vieira NSM, et al. Among authors: castro pj. Nanomaterials (Basel). 2020 Aug 14;10(8):1594. doi: 10.3390/nano10081594. Nanomaterials (Basel). 2020. PMID: 32823882 Free PMC article.

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