Discovery of H2CCCH+ in TMC-1 (Corrigendum)

2023-11-30T17:19:46+01:00Tags: |

Authors: Silva, W. G. D. P.; Cernicharo, J.; Schlemmer, S.; Marcelino, N.; Loison, J. -c.; Agundez, M.; Gupta, D.; Wakelam, V.; Thorwirth, S.; Cabezas, C.; Tercero, B.; Domenech, J. L.; Fuentetaja, R.; Kim, W. -j.; de Vicente, P.; Asvany, O. Journal: ASTRONOMY & ASTROPHYSICS Publication date: 2023/08/21 DOI: 10.1051/0004-6361/202347174e Abstract:

Recent Developments in Kramers’ Theory of Reaction Rates

2023-11-30T17:19:33+01:00Tags: , , , |

Authors: Pollak, Eli; Miret-Artes, Salvador Journal: CHEMPHYSCHEM Publication date: 2023/08/15 DOI: 10.1002/cphc.202300272 Abstract: In this short review, we provide an update of recent developments in Kramers' theory of reaction rates. After a brief introduction stressing the importance of this theory initially developed for chemical reactions, we briefly present the main theoretical formalism starting from the [...]

High-level ab initio evidence of bipyramidal Cu5 clusters as fluxional Jahn-Teller molecules

2023-11-30T17:19:32+01:00Tags: , , , |

Authors: Mitrushchenkov, Akexander O. O.; de Lara-Castells, Maria Pilar Journal: CHEMPHYSCHEM Publication date: 2023/08/15 DOI: 10.1002/cphc.202300317 Abstract: Novel highly selective synthesis techniques have enable the production of atomically precise monodisperse metal clusters (AMCs) of subnanometer size. These AMCs exhibit 'molecule-like' structures that have distinct physical and chemical properties, significantly different from those of nanoparticles and [...]

Photodissociation dynamics of methylamine in the blue edge of the A-band. II. The NH2 + CH3 channel

2023-11-30T17:19:25+01:00Tags: , , , |

Authors: Cachon, Javier; Recio, Pedro; Zanchet, Alexandre; Marggi Poullain, Sonia; Banares, Luis Journal: JOURNAL OF CHEMICAL PHYSICS Publication date: 2023/08/14 DOI: 10.1063/5.0159855 Abstract: The photodissociation dynamics leading to the C-N bond cleavage in methylamine (CH3NH2) are investigated upon photoexcitation in the blue edge of the first absorption A-band, in the 198-204 nm range. Velocity map [...]

Variational Quantum Simulators Based on Waveguide QED

2023-11-30T17:19:10+01:00Tags: , |

Authors: Tabares, C.; de las Heras, A. Munoz; Tagliacozzo, L.; Porras, D.; Gonzalez-Tudela, A. Journal: PHYSICAL REVIEW LETTERS Publication date: 2023/08/14 DOI: 10.1103/PhysRevLett.131.073602 Abstract: Waveguide QED simulators are analog quantum simulators made by quantum emitters interacting with one-dimensional photonic band gap materials. One of their remarkable features is that they can be used to engineer [...]

Ar+ ArH+ Reactive Collisions of Astrophysical Interest: The Case of 36Ar

2023-11-30T17:19:47+01:00Tags: , , , |

Authors: de Oca-Estevez, Maria Judit Montes; Darna, Beatriz; Garcia-Ruiz, Borja; Prosmiti, Rita; Gonzalez-Lezana, Tomas; Koner, Debasish Journal: CHEMPHYSCHEM Publication date: 2023/08/11 DOI: 10.1002/cphc.202300450 Abstract: The reactive collision between Ar-36 and the (ArH+)-Ar-36 species has been investigated by means of quantum mechanical (QM), quasiclassical trajectories (QCT) and statistical quantum mechanical (SQM) approaches. Reaction probabilities, cross sections [...]

Evaluated electron scattering cross section dataset for gaseous benzene in the energy range 0.1-1000 eV

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

Authors: Garcia-Abenza, A.; Lozano, A. I.; Alvarez, L.; Oller, J. C.; Rosado, J.; Blanco, F.; Limao-Vieira, P.; Garcia, G. Journal: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Publication date: 2023/08/02 DOI: 10.1039/d3cp01908j Abstract: In this study, a complete and self-consistent cross section dataset for electron transport simulations through gaseous benzene in the energy range 0.1-1000 eV has been [...]

An ab initio study of the photodissociation of CH2I and CH2I+

2023-11-30T17:19:38+01:00Tags: , , , |

Authors: Bouallagui, A.; Zanchet, A.; Banares, L.; Garcia-Vela, A. Journal: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Publication date: 2023/08/02 DOI: 10.1039/d3cp01460f Abstract: Photodissociation of the CH2I radical and the CH2I+ cation is studied by means of high-level ab initio calculations, including spin-orbit effects. Potential-energy curves (PEC) along the dissociating bond distances involved in some fragmentation pathways of [...]

Electron Scattering from 1-Methyl-5-Nitroimidazole: Cross-Sections for Modeling Electron Transport through Potential Radiosensitizers

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

Authors: Lozano, Ana I.; Alvarez, Lidia; Garcia-Abenza, Adrian; Guerra, Carlos; Kossoski, Fabris; Rosado, Jaime; Blanco, Francisco; Oller, Juan Carlos; Hasan, Mahmudul; Centurion, Martin; Weber, Thorsten; Slaughter, Daniel S.; Mootheril, Deepthy M.; Dorn, Alexander; Kumar, Sarvesh; Limao-Vieira, Paulo; Colmenares, Rafael; Garcia, Gustavo Journal: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES Publication date: 2023/08/01 DOI: 10.3390/ijms241512182 Abstract: In this [...]

Cooling microwave fields into general multimode Gaussian states

2023-11-30T17:19:44+01:00Tags: , |

Authors: Yazdi, Nahid; Garcia-Ripoll, Juan Jose; Porras, Diego; Navarrete-Benlloch, Carlos Journal: NEW JOURNAL OF PHYSICS Publication date: 2023/08/01 DOI: 10.1088/1367-2630/acf0e2 Abstract: We show that a collection of lossy multichromatic modulated qubits can be used to dissipatively engineer arbitrary Gaussian states of a set of bosonic modes. Our ideas are especially suited to superconducting-circuit architectures, where [...]

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