Zobrazeno 1 - 10 of 550 pro vyhledávání: '"A. González Vazquez"'
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Akademický článek
Social media as a psychoeducative and preventive tool in mental health
Autor: R. Molina Ruiz, N. Nuñez Morales, A. González Vazquez
Publikováno v: European Psychiatry, Vol 65, Pp S576-S576 (2022)
Introduction The use of social networks is an integral part of our daily life as a means of communication. Scientific dissemination through these kind of platforms has expanded enormously in recent years, for example in networks such as Instagram, a
Externí odkaz: https://doaj.org/article/2fdf2491022c4450bf1c7cd78e92886a
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2
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Non adiabatic dynamics of photoexcited cyclobutanone: predicting structural measurements from trajectory surface hopping with XMS-CASPT2 simulations
Autor: Vindel-Zandbergen, Patricia, González-Vázquez, Jesús
For years, theoretical calculations and scalable computer simulations have complemented ultrafast experiments as they offer the advantage to overcome experimental restrictions and have access to the whole dynamics. This synergy between theory and exp
Externí odkaz: http://arxiv.org/abs/2402.11090
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3
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Nonadiabatic ab initio molecular dynamics including spin-orbit coupling and laser fields
Autor: Marquetand, Philipp, Richter, Martin, González-Vázquez, Jesús, Sola, Ignacio, González, Leticia
Publikováno v: Faraday Discuss., 2011, 153, 261-273
Nonadiabatic ab initio molecular dynamics (MD) including spin-orbit coupling (SOC) and laser fields is investigated as a general tool for studies of excited-state processes. Up to now, SOCs are not included in standard ab initio MD packages. Therefor
Externí odkaz: http://arxiv.org/abs/2205.06051
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8
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A singlet and triplet excited-state dynamics study of the keto and enol tautomers of cytosine
Autor: Mai, Sebastian, Marquetand, Philipp, Richter, Martin, González-Vazquez, Jesús, González, Leticia
Publikováno v: ChemPhysChem, 14, 2920-2931 (2013)
The photoinduced excited-state dynamics of the keto and enol forms of cytosine is investigated using ab initio surface hopping in order to understand the outcome of molecular beam femtosecond pump-probe photoionization spectroscopy experiments. Both
Externí odkaz: http://arxiv.org/abs/2103.13206
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9
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Femtosecond Intersystem Crossing in the DNA Nucleobase Cytosine
Autor: Richter, Martin, Marquetand, Philipp, González-Vazquez, Jesús, Sola, Ignacio, González, Leticia
Publikováno v: J. Phys. Chem. Lett. 2012, 3, 21, 3090-3095
Ab initio molecular dynamics including non-adiabatic and spin-orbit couplings on equal footing is used to unravel the deactivation of cytosine after UV light absorption. Intersystem crossing (ISC) is found to compete directly with internal conversion
Externí odkaz: http://arxiv.org/abs/2103.13070
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