Peer-reviewed publications by IFF-CSIC researchers in 2021

Exploring CO2@sI Clathrate Hydrates as CO2 Storage Agents by Computational Density Functional Approaches

2022-04-05T17:41:19+02:00Tags: , , , |

Authors: Cabrera-Ramirez, Adriana; Arismendi-Arrieta, Daniel J.; Valdes, Alvaro; Prosmiti, Rita Journal: CHEMPHYSCHEM Publication date: 2021/02/16 DOI: 10.1002/cphc.202001035 Abstract: The formation of specific clathrate hydrates and their transformation at given thermodynamic conditions depends on the interactions between the guest molecule/s and the host water lattice. Understanding their structural stability is essential to control structure-property relations involved [...]

Quantum Electrodynamics in a Topological Waveguide

2022-04-05T17:41:19+02:00Tags: , |

Authors: Kim, Eunjong; Zhang, Xueyue; Ferreira, Vinicius S.; Banker, Jash; Iverson, Joseph K.; Sipahigil, Alp; Bello, Miguel; Gonzalez-Tudela, Alejandro; Mirhosseini, Mohammad; Painter, Oskar Journal: PHYSICAL REVIEW X Publication date: 2021/01/25 DOI: 10.1103/PhysRevX.11.011015 Abstract: While designing the energy-momentum relation of photons is key to many linear, nonlinear, and quantum optical phenomena, a new set of light-matter [...]

A study of C4H3N isomers in TMC-1: Line by line detection of HCCCH2CN

2022-04-05T17:41:18+02:00Tags: |

Authors: Marcelino, N.; Tercero, B.; Agundez, M.; Cernicharo, J. Journal: ASTRONOMY & ASTROPHYSICS Publication date: 2021/02/12 DOI: 10.1051/0004-6361/202040177 Abstract: We present Yebes 40 m telescope observations of the three most stable C4H3N isomers towards the cyanopolyyne peak of TMC-1. We have detected 13 transitions from CH3C3N (A and E species), 16 lines from CH2CCHCN, and [...]

Space and laboratory discovery of HC3S+

2022-04-05T17:41:18+02:00Tags: |

Authors: Cernicharo, J.; Cabezas, C.; Endo, Y.; Marcelino, N.; Agundez, M.; Tercero, B.; Gallego, J. D.; de Vicente, P. Journal: ASTRONOMY & ASTROPHYSICS Publication date: 2021/02/04 DOI: 10.1051/0004-6361/202040013 Abstract: We report the detection in TMC-1 of the protonated form of C3S. The discovery of the cation HC3S+ was carried through the observation of four harmonically [...]

Gas phase Elemental abundances in Molecular cloudS (GEMS): III. Unlocking the CS chemistry: the CS plus O reaction

2022-04-05T17:41:18+02:00Tags: |

Authors: Bulut, N.; Roncero, O.; Aguado, A.; Loison, J-C; Navarro-Almaida, D.; Wakelam, V; Fuente, A.; Roueff, E.; Le Gal, R.; Caselli, P.; Gerin, M.; Hickson, K. M.; Spezzano, S.; Riviere-Marichalar, P.; Alonso-Albi, T.; Bachiller, R.; Jimenez-Serra, I; Kramer, C.; Tercero, B.; Rodriguez-Baras, M.; Garcia-Burillo, S.; Goicoechea, J. R.; Trevino-Morales, S. P.; Esplugues, G.; Cazaux, S.; [...]

Surface Diffusion by Means of Stochastic Wave Functions. The Ballistic Regime

2022-04-05T17:41:18+02:00Tags: |

Authors: Torres-Miyares, E. E.; Rojas-Lorenzo, G.; Rubayo-Soneira, J.; Miret-Artes, S. Journal: MATHEMATICS Publication date: 2021/02/01 DOI: 10.3390/math9040362 Abstract: Stochastic wave function formalism is briefly introduced and applied to study the dynamics of open quantum systems; in particular, the diffusion of Xe atoms adsorbed on a Pt(111) surface. By starting from a Lindblad functional and within [...]

Ultraviolet Laser Pulses with Multigigahertz Repetition Rate and Multiwatt Average Power for Fast Trapped-Ion Entanglement Operations

2022-04-05T17:41:18+02:00Tags: , |

Authors: Hussain, M., I; Heinrich, D.; Guevara-Bertsch, M.; Torrontegui, E.; Garcia-Ripoll, J. J.; Roos, C. F.; Blatt, R. Journal: PHYSICAL REVIEW APPLIED Publication date: 2021/02/23 DOI: 10.1103/PhysRevApplied.15.024054 Abstract: The conventional approach to perform two-qubit gate operations in trapped ions relies on exciting the ions on motional sidebands with laser light, which is an inherently slow [...]

Rate constants for the H+ + H-2 reaction from 5 K to 3000 K with a statistical quantum method

2022-04-05T17:41:18+02:00Tags: , , , |

Authors: Gonzalez-Lezana, Tomas; Hily-Blant, Pierre; Faure, Alexandre Journal: JOURNAL OF CHEMICAL PHYSICS Publication date: 2021/02/07 DOI: 10.1063/5.0039629 Abstract: An exhaustive investigation of state-to-state H+ + H-2(v, j) -> H+ + H-2(v ', j ') transitions for rovibrational levels of molecular hydrogen below 1.3 eV from the bottom of the H-2 well is carried out by [...]

Recommended Cross Sections for Electron-Indium Scattering

2022-04-05T17:41:17+02:00Tags: , , , |

Authors: Hamilton, K. R.; Zatsarinny, O.; Bartschat, K.; Rabasovic, M. S.; Sevic, D.; Marinkovic, B. P.; Dujko, S.; Atic, J.; Fursa, D. V.; Bray, I.; McEachran, R. P.; Blanco, F.; Garcia, G.; Stokes, P. W.; White, R. D.; Jones, D. B.; Campbell, L.; Brunger, M. J. Journal: JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA Publication [...]

Bottlenecks to interstellar sulfur chemistry: Sulfur-bearing hydrides in UV-illuminated gas and grains

2022-04-05T17:41:17+02:00Tags: |

Authors: Goicoechea, J. R.; Aguado, A.; Cuadrado, S.; Roncero, O.; Pety, J.; Bron, E.; Fuente, A.; Riquelme, D.; Chapillon, E.; Herrera, C.; Duran, C. A. Journal: ASTRONOMY & ASTROPHYSICS Publication date: 2021/03/02 DOI: 10.1051/0004-6361/202039756 Abstract: Hydride molecules lie at the base of interstellar chemistry, but the synthesis of sulfuretted hydrides is poorly understood and their [...]

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