Confining CO2 inside sI clathrate-hydrates: The impact of the CO2-water interaction on quantized dynamics

2024-03-27T13:58:32+01:00Tags: , |

Authors: Valdes, Alvaro; Cabrera-Ramirez, Adriana; Prosmiti, Rita Journal: JOURNAL OF COMPUTATIONAL CHEMISTRY Publication date: 2023/06/30 DOI: 10.1002/jcc.27110 Abstract: We report new results on the translational-rotational (T-R) states of the CO2 molecule inside the sI clathrate-hydrate cages. We adopted the multiconfiguration time-dependent Hartree methodology to solve the nuclear molecular Hamiltonian, and to address issues on the [...]

A radio-jet-driven outflow in the Seyfert 2 galaxy NGC 2110?

2024-03-27T13:57:26+01:00Tags: |

Authors: de Arriba, L. Peralta; Alonso-Herrero, A.; Garcia-Burillo, S.; Garcia-Bernete, I.; Villar-Martin, M.; Garcia-Lorenzo, B.; Davies, R.; Rosario, D. J.; Hoenig, S. F.; Levenson, N. A.; Packham, C.; Almeida, C. Ramos; Pereira-Santaella, M.; Audibert, A.; Bellocchi, E.; Hicks, E. K. S.; Labiano, A.; Ricci, C.; Rigopoulou, D. Journal: ASTRONOMY & ASTROPHYSICS Publication date: 2023/06/30 DOI: [...]

Computational investigations of stable multiple-cage-occupancy He clathrate-like hydrostructures

2024-03-27T13:58:34+01:00Tags: , , , |

Authors: Yanes-Rodriguez, Raquel; Prosmiti, Rita Journal: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Publication date: 2023/06/28 DOI: 10.1039/d3cp00603d Abstract: One of the several possibilities offered by the interesting clathrate hydrates is the opportunity to encapsulate several atoms or molecules, in such a way that more efficient storage materials could be explored or new molecules that otherwise do not [...]

Superfluid helium droplet-mediated surface-deposition of neutral and charged silver atomic species

2024-03-27T13:57:39+01:00Tags: , , , |

Authors: Fernandez, Berta; Pi, Marti; de Lara-Castells, Maria Pilar Journal: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Publication date: 2023/06/28 DOI: 10.1039/d3cp01303k Abstract: Experimental and theoretical work has delivered evidence of the helium nanodroplet-mediated synthesis and soft-landing of metal nanoparticles, nanowires, clusters, and single atoms on solid supports. Recent experimental advances have allowed the formation of charged metal [...]

Kibble-Zurek mechanism of Ising domains

2024-03-27T13:57:35+01:00Tags: , |

Authors: Du, Kai; Fang, Xiaochen; Won, Choongjae; De, Chandan; Huang, Fei-Ting; Xu, Wenqian; You, Hoydoo; Gomez-Ruiz, Fernando J.; del Campo, Adolfo; Cheong, Sang-Wook Journal: NATURE PHYSICS Publication date: 2023/06/26 DOI: 10.1038/s41567-023-02112-5 Abstract: The formation of topological defects after a symmetry-breaking phase transition is an overarching phenomenon that encodes the underlying dynamics. The Kibble-Zurek mechanism (KZM) [...]

On the nature of Tycho Brahe’s supernova

2023-06-26T14:02:33+02:00Tags: |

Authors: Ruiz-Lapuente, Pilar Journal: FRONTIERS IN ASTRONOMY AND SPACE SCIENCES Publication date: 2023/03/16 DOI: 10.3389/fspas.2023.1112880 Abstract: At the 450 years anniversary of its observation, the supernova named after Tycho Brahe, SN 1572, can be explained in the terms used nowadays to characterize Type Ia supernovae (SNe Ia). By assembling the records of the observations made [...]

The conformational behavior of N-ethylformamide as observed by rotational spectroscopy and quantum chemistry

2023-06-26T13:37:21+02:00Tags: |

Authors: Cabezas, Carlos; Kawashima, Yoshiyuki; Bermudez, Celina; Usami, Tsuyoshi; Hirota, Eizi; Cernicharo, Jose Journal: SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY Publication date: 2023/04/15 DOI: 10.1016/j.saa.2023.122353 Abstract: A peptide linkage -(C--O)NH- containing molecule, N-ethylformamide, was investigated by rotational spec-troscopy in order to determine the molecular constants of its highest-energy conformer, cis -ac. Its rotational spectrum [...]

Topological multimode waveguide QED

2023-06-26T13:38:09+02:00Tags: , |

Authors: Vega, C.; Porras, D.; Gonzalez-Tudela, A. Journal: PHYSICAL REVIEW RESEARCH Publication date: 2023/04/17 DOI: 10.1103/PhysRevResearch.5.023031 Abstract: Topological insulators feature a number of topologically protected boundary modes linked to the value of their bulk invariant. While in one-dimensional systems the boundary modes are zero dimensional and localized, in two-dimensional topological insulators the boundary modes are [...]

Infrared spectra of solid indene pure and in water ice: implications for observed IR absorptions in TMC-1

2024-03-27T13:58:08+01:00Tags: |

Authors: Mate, Belen; Tanarro, Isabel; Timon, Vicente; Cernicharo, Jose; Herrero, Victor J. Journal: MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY Publication date: 2023/06/22 DOI: 10.1093/mnras/stad1761 Abstract: Experimental and theoretical infrared spectra, between 4000 and 500 cm(-1) (2.5-20 & mu;m), and infrared band strengths of two solid phases of indene, amorphous, and crystalline, are given for [...]

Photodissociation dynamics of methylamine in the blue edge of the A-band. I. The H-atom elimination channel

2024-03-27T13:58:21+01:00Tags: , , , |

Authors: Recio, Pedro; Cachon, Javier; Zanchet, Alexandre; Poullain, Sonia Marggi; Banares, Luis Journal: JOURNAL OF CHEMICAL PHYSICS Publication date: 2023/06/21 DOI: 10.1063/5.0152993 Abstract: The photodissociation dynamics of methylamine (CH3NH2) upon excitation in the blue edge of the first absorption A-band, in the 198-203 nm range, are investigated by means of nanosecond pump-probe laser pulses and [...]

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