Authors: Mousavi, S., V; Miret-Artes, S. Journal: JOURNAL OF PHYSICS A-MATHEMATICAL AND THEORETICAL Publication date: 2022/11/25 DOI: 10.1088/1751-8121/aca36e Abstract: Decoherence is a well established process for the emergence of classical mechanics in open quantum systems. However, it can have two different origins or mechanisms depending on the dynamics one is considering, speaking then about intrinsic [...]
Authors: Cabrera-Ramirez, Adriana; Prosmiti, Rita Journal: JOURNAL OF PHYSICAL CHEMISTRY C Publication date: 2022/09/08 DOI: 10.1021/acs.jpcc.2c04140 Abstract: We performed first-principles computations to investigate the complex interplay of molecular interaction energies in determining the lattice structure and stability of CO2@sH clathrate hydrates. Density functional theory computations using periodic boundary conditions were employed to characterize energetics and [...]
Authors: Amorim, R. A. A.; Diniz, A. C.; Oliveira, C. B.; Oliveira Junior, O. L.; Jones, D. B.; Blanco, F.; Garcia, G.; Brunger, M. J.; Lopes, M. C. A. Journal: EUROPEAN PHYSICAL JOURNAL D Publication date: 2022/11/01 DOI: 10.1140/epjd/s10053-022-00537-w Abstract: In this work, the mass spectrum (MS) and the appearance energies (AEs) of the ionic [...]
Nuestra compañera y vicedirectora del IFF, Marta I. Hernández, participó ayer, 26 de enero, en las charlas sobre la actividad "Atrévete a ser científica" con motivo del inicio del Día internacional de la Mujer y la Niña en la Ciencia. El centro educativo elegido fue el C.E.I.P.S.O. Eugenio Muro que forma parte de la red [...]
The PHYMOL MSCA Doctoral Network offers 11 PhD positions in an ambitious programme of research and training to develope a new generation of researchers in the field of molecular modelling. PHYMOL is led by 12 research and academic institutions as well as 4 industrial enterprises. One of the beneficiaries is CSIC through our institute (Institute [...]
Authors: Quintana-Lacaci, G.; Velilla-Prieto, L.; Agundez, M.; Fonfria, J. P.; Cernicharo, J.; Decin, L.; Castro-Carrizo, A. Journal: ASTRONOMY & ASTROPHYSICS Publication date: 2023/01/05 DOI: 10.1051/0004-6361/202244396 Abstract: Context. Red supergiant stars (RSGs, M-init=10-40 M-circle dot) are known to eject large amounts of material, as much as half of their initial mass during this evolutionary phase. However, [...]
Authors: Agundez, M.; Cabezas, C.; Marcelino, N.; Fuentetaja, R.; Tercero, B.; de Vicente, P.; Cernicharo, J. Journal: ASTRONOMY & ASTROPHYSICS Publication date: 2023/01/01 DOI: 10.1051/0004-6361/202245492 Abstract: The previous detection of two species related to the nonpolar molecule cyanogen (NCCN), its protonated form (NCCNH+) and one metastable isomer (CNCN), in cold dense clouds supported the hypothesis [...]
