Formation of complex organic molecules in ice mantles: An ab initio molecular dynamics study

2020-01-16T12:54:18+01:00Tags: |

Authors: Inostroza, Natalia; Mardones, Diego; Cernicharo, Jose; Zinnecker, Hans; Ge, Jixing; Aria, Nelson; Fuentealba, Patricio; Cardenas, Carlos Contribution: Article Journal: ASTRONOMY & ASTROPHYSICS Publication date: 2019/08/30 DOI: 10.1051/0004-6361/201834035 Abstract: We present a detailed simulation of a dust grain covered by a decamer of (CH3OH)(10)-ice-mantle, bombarded by an OH- closed-shell molecule with kinetic energies from 10-22 eV. [...]

Delaying the Decay of a Superposition of Resonance States

2020-01-16T12:54:18+01:00Tags: , , , |

Authors: Garcia-Vela, A. Contribution: Article Journal: JOURNAL OF PHYSICAL CHEMISTRY A Publication date: 2019/08/29 DOI: 10.1021/acs.jpca.9b04892 Abstract: A weak-field coherent control scheme is applied in order to enhance the decay lifetime of a superposition of overlapping resonance states. The scheme uses a pump laser field consisting of two pulses delayed in time, each of them exciting [...]

Experimental and theoretical analysis for total electron scattering cross sections of benzene

2020-01-16T12:54:18+01:00Tags: , , , |

Authors: Costa, F.; Alvarez, L.; Lozano, A. I.; Blanco, F.; Oller, J. C.; Munoz, A.; Souza Barbosa, A.; Bettega, M. H. F.; Ferreira da Silva, F.; Limao-Vieira, P.; White, R. D.; Brunger, M. J.; Garcia, G. Contribution: Article Journal: JOURNAL OF CHEMICAL PHYSICS Publication date: 2019/08/28 DOI: 10.1063/1.5116076 Abstract: Measurements of the total electron scattering cross [...]

Effects of the Core Location on the Structural Stability of Ni-Au Core-Shell Nanoparticles

2020-01-16T12:54:19+01:00Tags: , , |

Authors: Schnedlitz, Martin; Fernandez-Perea, Ricardo; Knez, Daniel; Lasserus, Maximilian; Schiffmann, Alexander; Hofer, Ferdinand; Hauser, Andreas W.; Pilar de Lara-Castells, Maria; Ernst, Wolfgang E. Contribution: Article Journal: JOURNAL OF PHYSICAL CHEMISTRY C Publication date: 2019/08/15 DOI: 10.1021/acs.jpcc.9b05765 Abstract: Structural changes of Ni-Au core shell nanoparticles with increasing temperature are studied at atomic resolution. The bimetallic clusters, synthesized [...]

Alkaline and alkaline-earth cyanoacetylides: A combined theoretical and rotational spectroscopic investigation

2020-01-16T12:54:19+01:00Tags: , , , |

Authors: Cabezas, Carlos; Barrientos, Carmen; Largo, Antonio; Guillemin, Jean-Claude; Cernicharo, Jose; Alonso, Jose L. Contribution: Article Journal: JOURNAL OF CHEMICAL PHYSICS Publication date: 2019/08/07 DOI: 10.1063/1.5110670 Abstract: The metallic cyanoacetylides LiC3N, NaC3N, MgC3N, and CaC3N have been investigated by combined spectroscopy measurements and theoretical calculations. The theoretical calculations predict for the four species that the linear [...]

Study of CS, SiO, and SiS abundances in carbon star envelopes: assessing their role as gas-phase precursors of dust

2020-01-16T12:54:19+01:00Tags: |

Authors: Massalkhi, S.; Agundez, M.; Cernicharo, J. Contribution: Article Journal: ASTRONOMY & ASTROPHYSICS Publication date: 2019/08/07 DOI: 10.1051/0004-6361/201935069 Abstract: Aims. We aim to determine the abundances of CS, SiO, and SiS in a large sample of carbon star envelopes covering a wide range of mass loss rates to investigate the potential role that these molecules could [...]

Aggregation enhancement of coronene molecules by seeding with alkali-metal ions

2020-01-16T12:54:19+01:00Tags: , , , |

Authors: Bartolomei, M.; Pirani, F.; Marques, J. M. C. Contribution: Article Journal: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Publication date: 2019/08/07 DOI: 10.1039/c9cp02658d Abstract: Microsolvation constitutes the first step in the formation of cluster structures of molecules that surround a solute in the bulk and it allows for a deep insight into the relationship between the structure of [...]

Luz topológica para diseñar simuladores cuánticos más robustos

2019-09-13T10:21:09+02:00Tags: , , , , |

Un estudio internacional liderado por investigadores del CSIC ha propuesto el uso de luz confinada en guías de ondas topológicas para diseñar nuevos simuladores cuánticos. Los resultados del trabajo, publicado en la revista Science Advances, podrían tener aplicaciones futuras en computación y simulación cuántica. El investigador Alejandro González Tudela, del Instituto de Física Fundamental, ha participado en este [...]

Theoretical and experimental cross sections for electron scattering from halothane

2020-01-16T12:54:19+01:00Tags: , , |

Authors: Maioli, Leticia S.; Bettega, Marcio H. F.; Blanco, Francisco; Garcia, Gustavo; Lange, Emanuele; Limao-Vieira, Paulo; da Silva, Filipe Ferreira Contribution: Article Journal: EUROPEAN PHYSICAL JOURNAL D Publication date: 2019/08/01 DOI: 10.1140/epjd/e2019-100230-y Abstract: We report a joint theoretical and experimental study on elastic scattering of electrons from halothane (CF3CHBrCl). The theoretical differential, integral and momentum transfer [...]