Zobrazeno 1 - 9
of 9
pro vyhledávání: '"Andressa C. Bevilacqua"'
Autor:
Bernardo A. Iglesias, Roberta Krüger, Allya Larroza, Bruna Iepsen, Mateus H. Köhler, Carolina Hahn da Silveira, Lucielli Savegnago, Eder J. Lenardão, Mariana G. Fronza, Andressa C. Bevilacqua, Diego Alves, Paulo Piquini
Publikováno v:
European Journal of Organic Chemistry. 2020:348-361
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::061b5606e318b793549b98009ef88c03
https://doi.org/10.1002/ejoc.201901619
https://doi.org/10.1002/ejoc.201901619
Publikováno v:
The Journal of Physical Chemistry C. 123:20869-20876
In this contribution, we explore the photophysics of covalently linked fullerenes C60 with corroles through density-functional first-principles calculations. The results show the relative stability...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b20b70a42f922821369176574181ec8e
https://doi.org/10.1021/acs.jpcc.9b04321
https://doi.org/10.1021/acs.jpcc.9b04321
Publikováno v:
Brazilian Journal of Physics. 49:502-507
First-principles calculations were performed to study the optical absorption and redox properties of peripheral-substituted corrole macrocycles. Donor and acceptor groups (CH3 and NO2, respectively) connected to different pyrrolic-positions were inve
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::be849ba8d35264295481b7f7b7e1cae6
https://doi.org/10.1007/s13538-019-00662-9
https://doi.org/10.1007/s13538-019-00662-9
Publikováno v:
Computational Materials Science. 158:228-234
Tetrapyrrolic macrocycles are well known photosensitizers, absorbing light in the ultraviolet and visible region. The quantum efficiency of these naturally occurring compounds in optical processes, and the possibility of altering their behavior by mo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e7571a9d1dde2148b9055e1e52450883
https://doi.org/10.1016/j.commatsci.2018.11.031
https://doi.org/10.1016/j.commatsci.2018.11.031
Publikováno v:
Physical Chemistry Chemical Physics. 19:5629-5636
Spin polarized density functional theory has been used to study the stability, and electronic and optical properties when BN nanodomains are embedded in graphene and carbon patches are embedded in a single layer of h-BN forming h-BNC nanosystems. Our
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e3a45d9f5431dbc83a0b124d80bc5873
https://doi.org/10.1039/c6cp08730b
https://doi.org/10.1039/c6cp08730b
Autor:
Oscar E. D. Rodrigues, Luciano Dornelles, Andressa C. Bevilacqua, Paulo Piquini, Patrícia Foletto, Bernardo A. Iglesias
Publikováno v:
New Journal of Chemistry. 41:7424-7431
The synthesis of a new class of chiral chalcogenocysteinols and bis-chalcogenoamines is described in this study. The compounds were prepared from commercially available L-serine using simple reactions to obtain the desired products. Additionally, the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2b50256313df79015ef94426744f399a
https://doi.org/10.1039/c7nj00194k
https://doi.org/10.1039/c7nj00194k
Publikováno v:
Chemical Physics Letters. 653:161-166
First principles calculations within the spin polarized density functional approximation have been addressed to investigate the energetic stability, electronic and optical properties of defective BN nanotubes. Our results show that the presence of ca
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6a890ba25fdd600d8fff556c0259feaa
https://doi.org/10.1016/j.cplett.2016.04.093
https://doi.org/10.1016/j.cplett.2016.04.093
Autor:
Bárbara Tirloni, Nahum R. Pineda, Ernesto Schulz Lang, Ulrich Abram, Natália Vicensi Fagundes, Paulo Piquini, Camila Nunes Cechin, Andressa C. Bevilacqua, Alisson V. Paz
Publikováno v:
Polyhedron. 177:114315
The compounds [Pd2I2{Te((2,6-OCH3)2C6H3)}2(PCy3)2] (1), [Pd2I2{Te((2,6-OCH3)2C6H3)}2(PR2R')2]∙2CH3CN (2), [Pd2{Te((2,6-OCH3)2C6H3)}2(phen)2][Hg2Br6(phen)2] (3), [Pd2Cl2(TePh2)2(TePh)2] ∙ DMF (4), [Pd2(SePh)2(2,2′-bipy)2][HgBr4]∙2DMF (5), [Pd2
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::40d3200292a3d0f792d306757972dd89
https://doi.org/10.1016/j.poly.2019.114315
https://doi.org/10.1016/j.poly.2019.114315
Autor:
Lucas B. Menezes, Leonardo De Boni, Bernardo A. Iglesias, Paulo Piquini, Leandro H.Z. Cocca, Lucas F. Sciuti, Andressa C. Bevilacqua, Mateus H. Köhler
Publikováno v:
Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP
Universidade de São Paulo (USP)
instacron:USP
The spectroscopic study and characterization of mono-(amino-ferrocenyl) porphyrins has increased during the last years. These molecules can be synthesized in such a way that their linear and nonlinear optical parameters are modulated, opening the pos
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3e1759a98b826ec44c8edf35c55ef1f0
https://doi.org/10.1016/j.jphotochem.2019.112048
https://doi.org/10.1016/j.jphotochem.2019.112048