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

2023-09-28T16:57:42+02:00Tags: , , , |

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 [...]

Atmospheric molecular blobs shape up circumstellar envelopes of AGB stars

2023-09-28T15:34:01+02:00Tags: , , , |

Authors: Velilla-Prieto, L.; Fonfria, J. P.; Agundez, M.; Castro-Carrizo, A.; Guelin, M.; Quintana-Lacaci, G.; Cherchneff, I.; Joblin, C.; McCarthy, M. C.; Martin-Gago, J. A.; Cernicharo, J. Journal: NATURE Publication date: 2023/05/25 DOI: 10.1038/s41586-023-05917-9 Abstract: During their thermally pulsing phase, asymptotic giant branch (AGB) stars eject material that forms extended dusty envelopes(1). Visible polarimetric imaging found [...]

Solvation of cationic copper clusters in molecular hydrogen

2023-11-30T17:19:45+01:00Tags: , , , |

Authors: Lushchikova, O. V.; Reichegger, J.; Kollotzek, S.; Zappa, F.; Mahmoodi-Darian, M.; Bartolomei, M.; Campos-Martinez, J.; Gonzalez-Lezana, T.; Pirani, F.; Scheier, P. Journal: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Publication date: 2023/09/27 DOI: 10.1039/d3cp03452f Abstract: Multiply charged superfluid helium nanodroplets are utilized to facilitate the growth of cationic copper clusters (Cun+, where n = 1-8) that are [...]

The extremely sharp transition between molecular and ionized gas in the Horsehead nebula

2023-11-30T17:20:03+01:00Tags: |

Authors: Hernandez-Vera, C.; Guzman, V. V.; Goicoechea, J. R.; Maillard, V.; Pety, J.; Le Petit, F.; Gerin, M.; Bron, E.; Roueff, E.; Abergel, A.; Schirmer, T.; Carpenter, J.; Gratier, P.; Gordon, K.; Misselt, K. Journal: ASTRONOMY & ASTROPHYSICS Publication date: 2023/09/22 DOI: 10.1051/0004-6361/202347206 Abstract: Massive stars can determine the evolution of molecular clouds by eroding [...]

Detection of ethynylbenzene in TMC-1 and the interstellar search for 1,2-diethynylbenzene

2023-11-30T17:19:52+01:00Tags: |

Authors: Loru, Donatella; Cabezas, Carlos; Cernicharo, Jose; Schnell, Melanie; Steber, Amanda L. Journal: ASTRONOMY & ASTROPHYSICS Publication date: 2023/09/22 DOI: 10.1051/0004-6361/202347023 Abstract: Aims. We investigate the outcome of an electrical discharge of naphthalene and search for the resulting products in the Taurus Molecular Cloud (TMC-1).Methods. Using chirped pulse Fourier transform microwave spectroscopy paired with an [...]

Deep learning denoising by dimension reduction: Application to the ORION-B line cubes

2023-11-30T17:20:20+01:00Tags: |

Authors: Einig, Lucas; Pety, Jerome; Roueff, Antoine; Vandame, Paul; Chanussot, Jocelyn; Gerin, Maryvonne; Orkisz, Jan H.; Palud, Pierre; Santa-Maria, Miriam G.; Magalhaes, Victor de Souza; Beslic, Ivana; Bardeau, Sebastien; Bron, Emeric; Chainais, Pierre; Goicoechea, Javier R.; Gratier, Pierre; Guzman, Viviana V.; Hughes, Annie; Kainulainen, Jouni; Languignon, David; Lallement, Rosine; Levrier, Francois; Lis, Dariusz C.; Liszt, [...]

Searches for bridged bicyclic molecules in space-norbornadiene and its cyano derivatives

2023-11-30T17:19:55+01:00Tags: , |

Authors: Martin-Drumel, Marie-Aline; Spaniol, Jean-Thibaut; Holzel, Helen; Agundez, Marcelino; Cernicharo, Jose; Moth-Poulsen, Kasper; Jacovella, Ugo Journal: FARADAY DISCUSSIONS Publication date: 2023/09/20 DOI: 10.1039/d3fd00016h Abstract: The norbornadiene (NBD) molecule, C7H8, owes its fame to its remarkable photoswitching properties that are promising for molecular solar-thermal energy storage systems. Besides this photochemical interest, NBD is a rather unreactive [...]

Hardware-Efficient Entangled Measurements for Variational Quantum Algorithms

2023-11-30T17:19:27+01:00Tags: , |

Authors: Escudero, Francisco; Fernandez-Fernandez, David; Jauma, Gabriel; Penas, Guillermo F.; Pereira, Luciano Journal: PHYSICAL REVIEW APPLIED Publication date: 2023/09/20 DOI: 10.1103/PhysRevApplied.20.034044 Abstract: Variational algorithms have received significant attention in recent years due to their potential to solve practical problems using noisy intermediate-scale quantum (NISQ) devices. A fundamental step of these algorithms is the evaluation of [...]

Trihydrogen Cation Helium Clusters: A New Potential Energy Surface

2023-11-30T17:19:23+01:00Tags: , , , |

Authors: Breton, Jose; Hernandez-Rojas, Javier; Hernandez, Marta I.; Campos-Martinez, Jose; Gonzalez-Lezana, Tomas Journal: CHEMPHYSCHEM Publication date: 2023/09/19 DOI: 10.1002/cphc.202300425 Abstract: We present a new analytical potential energy surface (PES) for the interaction between the trihydrogen cation and a He atom, H3+-He ${{H}_{3}{+}-He}$, in its electronic ground state. The proposed PES has been built as a [...]

Abundance and excitation of molecular anions in interstellar clouds

2023-11-30T17:19:31+01:00Tags: |

Authors: Agundez, M.; Marcelino, N.; Tercero, B.; Jimenez-Serra, I.; Cernicharo, J. Journal: ASTRONOMY & ASTROPHYSICS Publication date: 2023/09/13 DOI: 10.1051/0004-6361/202347077 Abstract: We present new observations of molecular anions with the Yebes 40 m and IRAM 30 m telescopes toward the cold, dense clouds TMC-1 CP, Lupus-1A, L1527, L483, L1495B, and L1544. We report the first [...]

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