Zobrazeno 1 - 10
of 67
pro vyhledávání: '"Javier Cerezo"'
Autor:
Javier Cerezo, Sheng Gao, Nicola Armaroli, Francesca Ingrosso, Giacomo Prampolini, Fabrizio Santoro, Barbara Ventura, Mariachiara Pastore
Publikováno v:
Molecules, Vol 28, Iss 9, p 3910 (2023)
We report a joint experimental and theoretical work on the steady-state spectroscopy and time-resolved emission of the coumarin C153 dye in methanol. The lowest energy excited state of this molecule is characterized by an intramolecular charge transf
Externí odkaz:
https://doaj.org/article/69e7e9f9ed674b09b412a9af15ae8587
Publikováno v:
Molecules, Vol 28, Iss 5, p 2286 (2023)
In this contribution, we report a computational study of the vibrational Resonance Raman (vRR) spectra of cytosine in water, on the grounds of potential energy surfaces (PES) computed by time-dependent density functional theory (TD-DFT) and CAM-B3LYP
Externí odkaz:
https://doaj.org/article/f9168938125347dd865250dbe5b7adf5
Autor:
Valle Coronado-Vázquez, Juan Gómez-Salgado, Javier Cerezo Espinosa de los Monteros, Carlota Canet Fajas, Rosa Magallón Botaya
Publikováno v:
Gaceta Sanitaria, Vol 33, Iss 6, Pp 554-562 (2019)
Resumen: Objetivo: Analizar los modelos de atención a pacientes crónicos de los distintos servicios de salud en España y discutir las cuestiones éticas derivadas de la aplicación de algunos de sus componentes. Método: Revisión narrativa de las
Externí odkaz:
https://doaj.org/article/7ccf9732e4b84b0f8f28e8466ece8de9
Autor:
Sutapa Sahu, Yeasin Sikdar, Riya Bag, Javier Cerezo, José P. Cerón-Carrasco, Sanchita Goswami
Publikováno v:
Molecules, Vol 27, Iss 9, p 2859 (2022)
Optical chemosensors caused a revolution in the field of sensing due to their high specificity, sensitivity, and fast detection features. Imidazole derivatives have offered promising features in the literature as they bear suitable donor/acceptor gro
Externí odkaz:
https://doaj.org/article/2ce3c2ae38b94fd99c9f2fdcdd39355b
Publikováno v:
Revista de Bioética y Derecho, Vol 0, Iss 39, Pp 179-197 (2017)
La obtención del consentimiento informado previo a la inclusión de los participantes en un ensayo clínico es un requisito ético-jurídico. En el diseño de Zelen la aleatorización es previa al consentimiento. En esta revisión se describen los
Externí odkaz:
https://doaj.org/article/e3159dfff6f64714b2acf4f9a11e63ea
Autor:
Javier Cerezo, Cristina García-Iriepa, Fabrizio Santoro, Isabelle Navizet, Giacomo Prampolini
Publikováno v:
Physical Chemistry Chemical Physics. 25:5007-5020
We present a computational investigation of the absorption spectrum in water of 5,5- spirocyclopropyl-oxyluciferin (5,5-CprOxyLH), an analogue of the emitter compound responsible for the bioluminescence in fireflies. Several factors concur to 5,5-Cpr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::51b0d6c4a58fa2ac4243b3943faab295
https://doi.org/10.1039/d2cp05701h
https://doi.org/10.1039/d2cp05701h
Autor:
Fabrizio Santoro, Javier Cerezo
Publikováno v:
Journal of Computational Chemistry. 44:626-643
We introduce FCclasses3, a code to carry out vibronic simulations of electronic spectra and nonradiative rates, based on the harmonic approximation. Key new features are: implementation of the full family of vertical and adiabatic harmonic models, vi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::78a292621e28de6b40d6463b9a80b38f
https://doi.org/10.1002/jcc.27027
https://doi.org/10.1002/jcc.27027
Autor:
Maximiliane Horz, Hafiz M. A. Masood, Hendrik Brunst, Javier Cerezo, David Picconi, Hannah Vormann, Madhava Shyam Niraghatam, Luuk J. G. W. van Wilderen, Jens Bredenbeck, Fabrizio Santoro, Irene Burghardt
Publikováno v:
The Journal of Chemical Physics. AMER INST PHYSICS
Following up on our previous work on vibrationally resolved electronic absorption spectra including the effect of vibrational pre-excitation [von Cosel et al., J. Chem. Phys. 147, 164116 (2017)], we present a combined theoretical and experimental stu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::432117f0d8575d512352f0582f56dfcb
https://doi.org/10.1063/5.0132608
https://doi.org/10.1063/5.0132608
Publikováno v:
The Journal of Physical Chemistry. a
In this work, we calculate the partition functions and thermodynamic quantities of molecular hydrogen isotopologues using the rovibrational energy levels provided by the highly accurate ab initio adiabatic potential energy functions recently determin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a1708a252ac1b3b000e14e431dbe98db
http://europepmc.org/articles/PMC8543445
http://europepmc.org/articles/PMC8543445
Autor:
Qiushuang, Xu, Daniel, Aranda, Martha, Yaghoubi Jouybari, Yanli, Liu, Meishan, Wang, Javier, Cerezo, Roberto, Improta, Fabrizio, Santoro
Publikováno v:
The journal of physical chemistry. A. 126(41)
We present a viable protocol to compute vibrational resonance Raman (vRR) spectra for systems with several close-lying and potentially coupled electronic states. It is based on the parametrization of linear vibronic coupling (LVC) models from time-de
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::3510d961b6ac2bea14519d8f5bd8f734
https://pubmed.ncbi.nlm.nih.gov/36099554
https://pubmed.ncbi.nlm.nih.gov/36099554