Zobrazeno 1 - 10
of 391
pro vyhledávání: '"Carvajal, Miguel A."'
Autor:
Rafik, Amine, Salah, Abdeljabbar Jaddi Mohammed, Komiha, Najia, Carvajal, Miguel, Marakchi, Khadija
Publikováno v:
J. Mol. Graph. Model, p.108819 (2024)
The reactivity and mechanistic intricacies of azatrienes in Diels-Alder reactions have been relatively unexplored despite their intriguing potential applications. In this study, we employ Molecular Electron Density Theory to theoretically investigate
Externí odkaz:
http://arxiv.org/abs/2407.11230
Autor:
Mendoza, Edgar, Costa, Samuel F. M., Carvajal, Miguel, Pilling, Sérgio, Alves, Márcio O., Galvão, Breno R. L.
Publikováno v:
A&A 687, A149 (2024)
Among the silicon bearing species discovered in the interstellar medium, SiS and SiO stand out as key tracers due to their distinct chemistry and abundances in interstellar and circumstellar environments. Our objective is to enhance the network of Si
Externí odkaz:
http://arxiv.org/abs/2404.07406
Autor:
Mendoza, Edgar, Carvajal, Miguel, Merello, Manuel, Bronfman, Leonardo, Boechat-Roberty, Heloisa M.
In the interstellar cold gas, the chemistry of formaldehyde (H$_2$CO) can be essential to explain the formation of complex organic molecules. On this matter, the massive and energetic protostellar object G331 is still unexplored and, hence, we carrie
Externí odkaz:
http://arxiv.org/abs/2306.11146
Autor:
Campanha, Danilo R., Mendoza, Edgar, Silva, Mateus X., Velloso, Paulo F. G., Carvajal, Miguel, Wakelam, Valentine, Galvão, Breno R. L.
The Si+SO$_2$ reaction is investigated to verify its impact on the abundances of molecules with astrochemical interest, such as SiS, SiO, SO and others. According to our results Si($^3$P) and SO$_2$ react barrierlessly yielding only the monoxides SO
Externí odkaz:
http://arxiv.org/abs/2206.04982
Autor:
Pérez-Ávila, Antonio J., Ruiz-Herrera, Noelia, Martínez-Olmos, Antonio, Carvajal, Miguel A., Capitán-Vallvey, Luis Fermín, López-Ruiz, Nuria, Palma, Alberto J.
Publikováno v:
In Sensors and Actuators: A. Physical 1 October 2024 376
In most cases, excited state quantum phase transitions can be associated with the existence of critical points (local extrema or saddle points) in a system's classical limit energy functional. However, an excited-state quantum phase transition might
Externí odkaz:
http://arxiv.org/abs/2106.11044
Autor:
Canelo, Carla M., Bronfman, Leonardo, Mendoza, Edgar, Duronea, Nicolas, Merello, Manuel, Carvajal, Miguel, Friaça, Amâncio C. S., Lepine, Jacques
Isocyanic acid (HNCO) is a simple molecule with a potential to form prebiotic and complex organic species. Using a spectral survey collected with the Atacama Pathfinder EXperiment (APEX), in this work we report the detection of 42 transitions of HNCO
Externí odkaz:
http://arxiv.org/abs/2104.10605
Autor:
Martínez-Pérez, Jose R.1 (AUTHOR) jose-ramon.martinez-perez@valeo.com, Carvajal, Miguel A.2 (AUTHOR) carvajal@ugr.es, Santaella, Juan J.1 (AUTHOR) juan-jose.santaella@valeo.com, López-Ruiz, Nuria2 (AUTHOR) nurilr@ugr.es, Escobedo, Pablo2 (AUTHOR) pabloescobedo@ugr.es, Martínez-Olmos, Antonio2 (AUTHOR) amartinez@ugr.es
Publikováno v:
Sensors (14248220). May2024, Vol. 24 Issue 9, p2802. 11p.
We present an extension of the Hamiltonian of the two dimensional limit of the vibron model encompassing all possible interactions up to four-body operators. We apply this Hamiltonian to the modeling of the experimental bending spectrum of fourteen m
Externí odkaz:
http://arxiv.org/abs/2006.13058
Recent works have shown that the spectroscopic access to highly-excited states provides enough information to characterize transition states in isomerization reactions. Here, we show that the transition state of the bond breaking HCN-HNC isomerizatio
Externí odkaz:
http://arxiv.org/abs/1907.07290