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The initial gas-phase sulfur abundance in the Orion Molecular Cloud from sulfur radio recombination lines

2022-04-05T17:41:14+02:00Tags: |

Authors: Goicoechea, Javier R.; Cuadrado, Sara Journal: ASTRONOMY & ASTROPHYSICS Publication date: 2021/03/16 DOI: 10.1051/0004-6361/202140517 Abstract: The abundances of chemical elements and their depletion factors are essential parameters for understanding the composition of the gas and dust that are ultimately incorporated into stars and planets. Sulfur is an abundant but peculiar element in the sense [...]

Rotational spectrum and internal dynamics of the hydrogen-bonded pyrrole-pyridine aromatic pair

2021-03-15T20:21:00+01:00Tags: |

Authors: Cabezas, Carlos; Pena, Isabel; Caminati, Walther Journal: SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY Publication date: 2021/03/15 DOI: 10.1016/j.saa.2020.119320 Abstract: Non-covalent interactions determine the three-dimensional structure and activity of biological molecules. In this work, the pyrrole-pyridine complex considered as a model of the N-H center dot center dot center dot N hydrogen-bonded Watson-Crick base [...]

Rotational spectrum and internal dynamics of the hydrogen-bonded pyrrole-pyridine aromatic pair

2022-04-04T17:52:58+02:00Tags: |

Authors: Cabezas, Carlos; Peña, Isabel; Caminati, Walther Journal: SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY Publication date: 2021/03/15 DOI: 10.1016/j.saa.2020.119320 Abstract: Non-covalent interactions determine the three-dimensional structure and activity of biological molecules. In this work, the pyrrole-pyridine complex considered as a model of the N-H center dot center dot center dot N hydrogen-bonded Watson-Crick base [...]

Near-resonant effects in the quantum dynamics of the H + H-2(+) -> H-2 + H+ charge transfer reaction and isotopic variants

2021-03-14T20:21:00+01:00Tags: , , , |

Authors: Sanz-Sanz, Cristina; Aguado, Alfredo; Roncero, Octavio Journal: JOURNAL OF CHEMICAL PHYSICS Publication date: 2021/03/14 DOI: 10.1063/5.0044320 Abstract: The non-adiabatic quantum dynamics of the H + H-2(+) -> H-2 + H+ charge transfer reactions, and some isotopic variants, is studied with an accurate wave packet method. A recently developed 3 x 3 diabatic potential model [...]

Near-resonant effects in the quantum dynamics of the H+H2+->H2+H+ charge transfer reaction and isotopic variants

2022-04-04T17:52:58+02:00Tags: , , , |

Authors: Sanz-Sanz, Cristina; Aguado, Alfredo; Roncero, Octavio Journal: JOURNAL OF CHEMICAL PHYSICS Publication date: 2021/03/14 DOI: 10.1063/5.0044320 Abstract: The non-adiabatic quantum dynamics of the H + H2+-> H2 + H+ charge transfer reactions, and some isotopic variants, is studied with an accurate wave packet method. A recently developed 3 x 3 diabatic potential model is [...]

An unrestricted approach for the accurate calculation of the intermolecular potential of (O-2)(4): Implications for the solid epsilon phase

2022-04-05T17:41:14+02:00Tags: , , , |

Authors: Valentin-Rodriguez, Monica A.; Bartolomei, Massimiliano; Hernandez, Marta I.; Campos-Martinez, Jose; Hernandez-Lamoneda, Ramon Journal: JOURNAL OF CHEMICAL PHYSICS Publication date: 2021/03/14 DOI: 10.1063/5.0038926 Abstract: Oxygen in its elemental form shows a variety of magnetic properties in its condensed phases; in particular, the epsilon solid phase loses its magnetism. These phenomena reflect the nature of the [...]

Discovery of allenyl acetylene, H2CCCHCCH, in TMC-1*study of the isomers of C5H4

2021-03-11T20:21:00+01:00Tags: |

Authors: Cernicharo, J.; Cabezas, C.; Agundez, M.; Tercero, B.; Marcelino, N.; Pardo, J. R.; Tercero, F.; Gallego, J. D.; Lopez-Perez, J. A.; deVicente, P. Journal: ASTRONOMY & ASTROPHYSICS Publication date: 2021/03/11 DOI: 10.1051/0004-6361/202140482 Abstract: We present the discovery in TMC-1 of allenyl acetylene, H2CCCHCCH, through the observation of nineteen lines with a signal-tonoise ratio -4-15. [...]

Discovery of allenyl acetylene, H2CCCHCCH, in TMC-1*study of the isomers of C5H4

2022-04-04T17:53:00+02:00Tags: |

Authors: Cernicharo, J.; Cabezas, C.; Agundez, M.; Tercero, B.; Marcelino, N.; Pardo, J. R.; Tercero, F.; Gallego, J. D.; Lopez-Perez, J. A.; deVicente, P. Journal: ASTRONOMY & ASTROPHYSICS Publication date: 2021/03/11 DOI: 10.1051/0004-6361/202140482 Abstract: We present the discovery in TMC-1 of allenyl acetylene, H2CCCHCCH, through the observation of nineteen lines with a signal-tonoise ratio -4-15. [...]

Speeding up quantum perceptron via shortcuts to adiabaticity

2022-04-05T17:41:14+02:00Tags: |

Authors: Ban, Yue; Chen, Xi; Torrontegui, E.; Solano, E.; Casanova, J. Journal: SCIENTIFIC REPORTS Publication date: 2021/03/11 DOI: 10.1038/s41598-021-85208-3 Abstract: The quantum perceptron is a fundamental building block for quantum machine learning. This is a multidisciplinary field that incorporates abilities of quantum computing, such as state superposition and entanglement, to classical machine learning schemes. Motivated [...]

Discovery of CH2CHCCH and detection of HCCN, HC4N, CH3CH2CN, and, tentatively, CH3CH2CCH in TMC-1

2022-04-05T17:41:14+02:00Tags: |

Authors: Cernicharo, J.; Agundez, M.; Cabezas, C.; Marcelino, N.; Tercero, B.; Pardo, J. R.; Gallego, J. D.; Tercero, F.; Lopez-Perez, J. A.; de Vicente, P. Journal: ASTRONOMY & ASTROPHYSICS Publication date: 2021/03/10 DOI: 10.1051/0004-6361/202140434 Abstract: We present the discovery in TMC-1 of vinyl acetylene, CH2CHCCH, and the detection, for the first time in a cold [...]

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