Zobrazeno 1 - 10
of 72
pro vyhledávání: '"Ángeles Peña-Gallego"'
Autor:
Daniel R. Ramos, Paul G. Furtmüller, Christian Obinger, Ángeles Peña-Gallego, Ignacio Pérez-Juste, J. Arturo Santaballa
Publikováno v:
Antioxidants, Vol 12, Iss 2, p 303 (2023)
Electronic structure calculations using the density-functional theory (DFT) have been performed to analyse the effect of water molecules and protonation on the heme group of peroxidases in different redox (ferric, ferrous, compounds I and II) and spi
Externí odkaz:
https://doaj.org/article/8360308b68eb4e4c99615089eb75ac10
Autor:
Ani Ozcelik, Raquel Pereira-Cameselle, Ricardo A. Mosquera, Ángeles Peña-Gallego, J. Lorenzo Alonso-Gómez
Publikováno v:
Symmetry, Vol 11, Iss 10, p 1245 (2019)
It is well established that chiroptical responses, based on the unique reaction to circularly polarized light by chiral non-racemic systems, are sensitive to the stereochemistry of the featuring systems. This behavior has promoted the use of chiropti
Externí odkaz:
https://doaj.org/article/bb02f375fd534882a75f405fc3f3d7ab
Autor:
Silvia Castro-Fernández, Ángeles Peña-Gallego, Ricardo A. Mosquera, José Lorenzo Alonso-Gómez
Publikováno v:
Molecules, Vol 24, Iss 1, p 141 (2019)
The high sensitivity of chiroptical responses to conformational changes and supramolecular interactions has prompted an increasing interest in the development of chiroptical applications. However, prediction of and understanding the chiroptical respo
Externí odkaz:
https://doaj.org/article/a4d49e35181841d09a1e51222e61b512
Autor:
Maria Talavera, Raquel Pereira-Cameselle, Ángeles Peña-Gallego, Irene Vázquez-Carballo, Inmaculada Prieto, J. Lorenzo Alonso-Gómez, Sandra Bolaño
Publikováno v:
Dalton transactions (Cambridge, England : 2003). 52(2)
Three new spirobifluorene iridaaromatic compounds bearing electron-withdrawing or electron-donor substituents or another iridanaphthalene moiety have been synthesized and structurally characterized. Thorough experimental and theoretical evaluation re
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ff0a26418e3f737069d78c633a8d4a6d
https://pubmed.ncbi.nlm.nih.gov/36504193
https://pubmed.ncbi.nlm.nih.gov/36504193
Autor:
Daniel R. Ramos, Paul G. Furtmüller, Christian Obinger, Ángeles Peña-Gallego, Ignacio Pérez-Juste, J. Arturo Santaballa
Electronic structure calculations have been carried out to examine the effect of protonation and water molecules on the heme group of peroxidases in different redox (ferric, ferrous, compounds I and II) and spin states. Shared geometries, spectroscop
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cd1bfe450f7ae9f52536f6668b83df50
Publikováno v:
Dalton Transactions. 50:11216-11220
Polycyclic iridaaromatic compounds are of great interest not only because of the contributions made in "aromatic chemistry", but also because of the possibility of improving the results of the applications of the corresponding organic analogues in di
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::074e57e4e426803453fdaa49ea7b38ee
https://doi.org/10.1039/d1dt01361k
https://doi.org/10.1039/d1dt01361k
A tetracyanobutadiene spirobifluorene: synthesis, enantiomeric resolution and chiroptical properties
Financiado para publicación en acceso aberto: Universidade de Vigo/CISUG Push-pull organic compounds with π-conjugated backbones are attracting considerable interest in terms of their highly efficient (NLO) non-linear optical effects. In this respe
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::40d7771840f2362a1999dc596544ef87
https://hdl.handle.net/11093/3780
https://hdl.handle.net/11093/3780
Publikováno v:
The Journal of Physical Chemistry C. 124:17924-17931
The concept of “true unimolecular rectifier” was introduced by Aviram and Ratner in 1974. They proposed an electrical rectifier at a molecular scale based on an asymmetric distribution of donor and...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0fd658537d7a88d1fb540fdd5a41f305
https://doi.org/10.1021/acs.jpcc.0c04219
https://doi.org/10.1021/acs.jpcc.0c04219
Publikováno v:
The Journal of Physical Chemistry C. 124:1585-1593
Even though collective electronic excitations in extended systems, also called plasmons, can be easily distinguished from single-electron excitations using classical and quantum electromagnetic the...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1301adf5d75d3f164bc9724099c1c199
https://doi.org/10.1021/acs.jpcc.9b10206
https://doi.org/10.1021/acs.jpcc.9b10206
Publikováno v:
Investigo. Repositorio Institucional de la Universidade de Vigo
Universidade de Vigo (UVigo)
The Journal of Physical Chemistry. a
Universidade de Vigo (UVigo)
The Journal of Physical Chemistry. a
Herein, the power of multicenter electron delocalization analysis to elucidate the intricacies of concerted reaction mechanisms is brought to light by tracking the transition of [1,3] sigmatropic rearrangements from the high-barrier pericyclic mechan
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0d75b8136a8625a552c721ea47ad9089
https://hdl.handle.net/11093/3109
https://hdl.handle.net/11093/3109