May 2019 - Page 2 Of 2 - Instituto De Física Fundamental

A Systematic Protocol for Benchmarking Guest–Host Interactions by First‐Principles Computations: Capturing CO2 in Clathrate Hydrates

A Systematic Protocol for Benchmarking Guest–Host Interactions by First‐Principles Computations: Capturing CO2 in Clathrate Hydrates

Marcelo Castellanos2019-07-19T18:11:39+02:00

Authors: Dr. Daniel J. Arismendi‐Arrieta, Dr. Álvaro Valdés, Dr. Rita Prosmiti. Contribution: Article Journal: Chem. Eur. J. Publication date: 24, 9353-9363 (2018). DOI: 10.1002/chem.201800497 Abstract: Clathrate hydrates of CO2 have been proposed as potential molecular materials in tackling important environmental problems related to greenhouse gases capture and storage. Despite the increasing interest in such hydrates and their [...]

Hints of the Existence of C-rich Massive Evolved Stars

Marcelo Castellanos2020-01-16T12:54:24+01:00Tags: Astronomy & Astrophysics. |

Authors: Quintana-Lacaci, Guillermo; Cernicharo, Jose; Agundez, Marcelino; Pablo Fonfria, Jose; Velilla-Prieto, Luis; Sanchez Contreras, Carmen; Bujarrabal, Valentin; Castro-Carrizo, Arancha; Alcolea, Javier Contribution: Article Journal: ASTROPHYSICAL JOURNAL Publication date: 2019/05/10 DOI: 10.3847/1538-4357/ab133e Abstract: We aim to study the properties of a particular type of evolved stars, C-rich evolved stars with high expansion velocities. For this purpose we [...]

Selective Bond Excision in Nitroimidazoles by Electron Transfer Experiments

Marcelo Castellanos2020-01-16T12:54:24+01:00Tags: Atomic, Chemistry, Molecular & Chemical. , Physical; Physics|

Authors: Mendes, M.; Probst, M.; Maihom, T.; Garcia, G.; Limao-Vieira, P. Contribution: Article Journal: JOURNAL OF PHYSICAL CHEMISTRY A Publication date: 2019/05/09 DOI: 10.1021/acs.jpca.9b02064 Abstract: We have performed comprehensive charge-transfer experiments yielding negative ion formation in collisions of fast neutral potassium atoms with nitroimidazole and methylated derivative molecules. The anionic pattern reveals that in the unimolecular [...]

Direct estimation of electron density in the Orion Bar PDR from mm-wave carbon recombination lines

Marcelo Castellanos2020-01-16T12:54:24+01:00Tags: Astronomy & Astrophysics. |

Authors: Cuadrado, S.; Salas, P.; Goicoechea, J. R.; Cernicharo, J.; Tielens, A. G. G. M.; Baez-Rubio, A. Contribution: Article Journal: ASTRONOMY & ASTROPHYSICS Publication date: 2019/05/07 DOI: 10.1051/0004-6361/201935556 Abstract: Context. A significant fraction of the molecular gas in star-forming regions is irradiated by stellar UV photons. In these environments, the electron density (n(e)) plays a critical [...]