Peer-reviewed publications by IFF-CSIC researchers in 2022

Absolute Differential Cross-Sections for Elastic Electron Scattering from Sevoflurane Molecule in the Energy Range from 50-300 eV

2023-01-27T15:32:43+01:00Tags: , |

Authors: Vukalovic, Jelena; Maljkovic, Jelena B.; Blanco, Francisco; Garcia, Gustavo; Predojevic, Branko; Marinkovic, Bratislav P. Journal: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES Publication date: 2022/01/01 DOI: 10.3390/ijms23010021 Abstract: We report the results of the measurements and calculations of the absolute differential elastic electron scattering cross-sections (DCSs) from sevoflurane molecule (C4H3F7O). The experimental absolute DCSs for elastic [...]

New deuterated species in TMC-1: Detection of CH2DC4H with the QUIJOTE line survey ⋆

2023-01-27T15:32:42+01:00Tags: |

Authors: Cabezas, C.; Fuentetaja, R.; Roueff, E.; Agundez, M.; Tercero, B.; Marcelino, N.; Pardo, J. R.; de Vicente, P.; Cernicharo, J. Journal: ASTRONOMY & ASTROPHYSICS Publication date: 2022/01/10 DOI: 10.1051/0004-6361/202142814 Abstract: We report the first detection in space of the single deuterated isotopologue of methyldiacetylene, CH2DC4H. A total of 12 rotational transitions, with J = [...]

Detection of the propargyl radical at lambda 3 mm

2023-01-27T15:32:42+01:00Tags: |

Authors: Agundez, M.; Marcelino, N.; Cabezas, C.; Fuentetaja, R.; Tercero, B.; de Vicente, P.; Cernicharo, J. Journal: ASTRONOMY & ASTROPHYSICS Publication date: 2022/01/17 DOI: 10.1051/0004-6361/202142678 Abstract: We report the detection of the propargyl radical (CH2CCH) in the cold dark cloud TMC-1 in the lambda 3 mm wavelength band. We recently discovered this species in space [...]

Vibrational effects in the quantum dynamics of the H + D-2(+) charge transfer reaction

2023-01-27T15:32:42+01:00Tags: , , , |

Authors: Roncero, O.; Andrianarijaona, V; Aguado, A.; Sanz-Sanz, C. Journal: MOLECULAR PHYSICS Publication date: 2022/01/17 DOI: 10.1080/00268976.2021.1948125 Abstract: The H + D-2(+)(v = 0,1 and 2) charge transfer reaction is studied using an accurate wave packet method, using recently proposed coupled diabatic potential energy surfaces. The state-to-state cross section is obtained for three different channels: [...]

Imaging the elusive C-C bond dissociation channel of photoexcited ethyl radical

2023-01-27T15:32:42+01:00Tags: , , , |

Authors: Marggi Poullain, Sonia; Rubio-Lago, Luis; Chicharro, David V.; Boullagui, Aymen; Zanchet, Alexandre; Yazidi, Ounaies; Garcia-Vela, Alberto; Banares, Luis Journal: MOLECULAR PHYSICS Publication date: 2022/01/17 DOI: 10.1080/00268976.2021.1984598 Abstract: The C-C bond dissociation channel of the ethyl (CH3-CH2) radical is investigated at 197.4, 199.98 and 201 nm by velocity map imaging and resonance enhanced multiphoton ionisation [...]

Assessment of DFT approaches in noble gas clathrate-like clusters: stability and thermodynamics

2023-01-27T15:32:42+01:00Tags: , , , |

Authors: Yanes-Rodriguez, Raquel; Prosmiti, Rita Journal: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Publication date: 2022/01/19 DOI: 10.1039/d1cp04935f Abstract: We have assessed the performance and accuracy of different wavefunction-based electronic structure methods, such as DFMP2 and domain-based local pair-natural orbital (DLPNO-CCSD(T)), as well as a variety of density functional theory (DFT) approaches on He@(H2O)(N) cage systems. We have [...]

Discovery of the elusive thioketenylium, HCCS+, in TMC-1

2023-01-27T15:32:42+01:00Tags: |

Authors: Cabezas, C.; Agundez, M.; Marcelino, N.; Tercero, B.; Endo, Y.; Fuentetaja, R.; Pardo, J. R.; de Vicente, P.; Cernicharo, J. Journal: ASTRONOMY & ASTROPHYSICS Publication date: 2022/01/07 DOI: 10.1051/0004-6361/202142815 Abstract: We report the detection in TMC-1 of the cation HCCS+ ((X) over tilde (3)Sigma(-)), which is the protonated form of the widespread radical CCS. [...]

On some unexplored decoherence aspects in the Caldeira-Leggett formalism: arrival time distributions, identical particles and diffraction in time

2023-01-27T15:32:42+01:00Tags: , |

Authors: Mousavi, S., V; Miret-Artes, S. Journal: EUROPEAN PHYSICAL JOURNAL PLUS Publication date: 2022/01/19 DOI: 10.1140/epjp/s13360-022-02367-6 Abstract: Some unexplored decoherence aspects within the Caldeira-Leggett master equation are analyzed and discussed. The decoherence process is controlled by the two environment parameters, the relaxation rate or friction and the temperature, leading to a gradual transition from the [...]

Ultrastrong Capacitive Coupling of Flux Qubits

2023-01-27T15:32:38+01:00Tags: , |

Authors: Hita-Perez, Maria; Jauma, Gabriel; Pino, Manuel; Garcia-Ripoll, Juan Jose Journal: PHYSICAL REVIEW APPLIED Publication date: 2022/01/24 DOI: 10.1103/PhysRevApplied.17.014028 Abstract: A flux qubit can interact strongly when it is capacitively coupled to other circuit elements. This interaction can be separated into two parts, one acting on the qubit subspaces and one in which excited states [...]

Discovery of C5H+ and detection of C3H+ in TMC-1 with the QUIJOTE line surveyx22c6;

2023-01-27T15:32:38+01:00Tags: |

Authors: Cernicharo, J.; Agundez, M.; Cabezas, C.; Fuentetaja, R.; Tercero, B.; Marcelino, N.; Endo, Y.; Pardo, J. R.; de Vicente, P. Journal: ASTRONOMY & ASTROPHYSICS Publication date: 2022/01/24 DOI: 10.1051/0004-6361/202142992 Abstract: We report the discovery of the C5H+ cation toward TMC-1 with the QUIJOTE line survey. Four lines from Jx2004;=7 - 6 up to J10 [...]

Go to Top