Segado M - Search Results

1

A benchmark study of electronic excitation energies, transition moments, and excited-state energy gradients on the nicotine molecule.

Egidi F, Segado M, Koch H, Cappelli C, Barone V. Egidi F, et al. Among authors: segado m. J Chem Phys. 2014 Dec 14;141(22):224114. doi: 10.1063/1.4903307. J Chem Phys. 2014. PMID: 25494739

2

Presence of two emissive minima in the lowest excited state of a push-pull cationic dye unequivocally proved by femtosecond up-conversion spectroscopy and vibronic quantum-mechanical computations.

Benassi E, Carlotti B, Segado M, Cesaretti A, Spalletti A, Elisei F, Barone V. Benassi E, et al. Among authors: segado m. J Phys Chem B. 2015 May 14;119(19):6035-40. doi: 10.1021/acs.jpcb.5b03545. Epub 2015 May 6. J Phys Chem B. 2015. PMID: 25902008

3

A "twist" on the interpretation of the multifluorescence patterns of DASPMI.

Segado M, Benassi E, Barone V. Segado M, et al. J Chem Theory Comput. 2015 Oct 13;11(10):4803-13. doi: 10.1021/acs.jctc.5b00632. Epub 2015 Sep 24. J Chem Theory Comput. 2015. PMID: 26574269

4

Mechanism of the photochemical process of singlet oxygen production by phenalenone.

Segado M, Reguero M. Segado M, et al. Phys Chem Chem Phys. 2011 Mar 7;13(9):4138-48. doi: 10.1039/c0cp01827a. Epub 2011 Jan 12. Phys Chem Chem Phys. 2011. PMID: 21225064

5

The interplay between neutral exciton and charge transfer states in single-strand polyadenine: a quantum dynamical investigation.

Santoro F, Improta R, Avila F, Segado M, Lami A. Santoro F, et al. Among authors: segado m. Photochem Photobiol Sci. 2013 Aug;12(8):1527-43. doi: 10.1039/c3pp50111f. Photochem Photobiol Sci. 2013. PMID: 23842735

6

Intramolecular charge transfer in aminobenzonitriles and tetrafluoro counterparts: fluorescence explained by competition between low lying excited states and radiationless deactivation. Part II: influence of substitution on luminescence patterns.

Segado M, Mercier Y, Gómez I, Reguero M. Segado M, et al. Phys Chem Chem Phys. 2016 Mar 7;18(9):6875-84. doi: 10.1039/c5cp04693a. Epub 2016 Feb 16. Phys Chem Chem Phys. 2016. PMID: 26878811

7

Intramolecular charge transfer in aminobenzonitriles and tetrafluoro counterparts: fluorescence explained by competition between low-lying excited states and radiationless deactivation. Part I: A mechanistic overview of the parent system ABN.

Segado M, Gómez I, Reguero M. Segado M, et al. Phys Chem Chem Phys. 2016 Mar 7;18(9):6861-74. doi: 10.1039/c5cp04690d. Epub 2016 Feb 16. Phys Chem Chem Phys. 2016. PMID: 26880713

8

Aggregation Patterns in Low- and High-Charge Anions Define Opposite Solubility Trends.

Segado M, Nyman M, Bo C. Segado M, et al. J Phys Chem B. 2019 Dec 12;123(49):10505-10513. doi: 10.1021/acs.jpcb.9b08571. Epub 2019 Nov 27. J Phys Chem B. 2019. PMID: 31725296

9

Unveiling a Photoinduced Hydrogen Evolution Reaction Mechanism via the Concerted Formation of Uranyl Peroxide.

Petrus E, Segado M, Bandeira NAG, Bo C. Petrus E, et al. Among authors: segado m. Inorg Chem. 2020 Jun 15;59(12):8353-8360. doi: 10.1021/acs.inorgchem.0c00757. Epub 2020 Jun 4. Inorg Chem. 2020. PMID: 32496796

10

Nucleation mechanisms and speciation of metal oxide clusters.

Petrus E, Segado M, Bo C. Petrus E, et al. Among authors: segado m. Chem Sci. 2020 Aug 3;11(32):8448-8456. doi: 10.1039/d0sc03530k. Chem Sci. 2020. PMID: 34123104 Free PMC article.

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