The electronic structure of 2(5H)-thiophenone investigated by vacuum ultraviolet synchrotron radiation and theoretical calculations

2023-12-26T16:20:12+01:00Tags: , , |

Authors: Kumar, S.; Duflot, D.; Jones, N. C.; Hoffmann, S. V.; Garcia, G.; Limao-Vieira, P. Journal: EUROPEAN PHYSICAL JOURNAL D Publication date: 01/11/2023 DOI: 10.1140/epjd/s10053-023-00771-w Abstract: The electronic state spectroscopy of 2(5H)-thiophenone, C4H4OS, has been investigated by high-resolution vacuum ultraviolet photoabsorption in the 3.76-10.69 eV energy range using synchrotron radiation, together with novel quantum chemical [...]

Reply to the ‘Comment on Perturbation theory of scattering for grazing-incidence fast-atom diffraction’ by G. A. Bocan, H. Breiss, S. Szilasi, A. Momeni, E. M. S. Casagrande, E. A. Sanchez, M. S. Gravielle and H. Khemliche, Phys. Chem. Chem. Phys., 2023, 25, DOI: 10.1039/D3CP02486E

2023-12-26T16:20:10+01:00Tags: , , , |

Authors: Allison, W.; Miret-Artes, S.; Pollak, E. Journal: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Publication date: 13/12/2023 DOI: 10.1039/d3cp04559e Abstract: In this Reply, we show that criticisms of perturbation theory for grazing-incidence fast-atom diffraction (GIFAD) are ill-founded. We show explicitly that our formulation (W. Allison, S. Miret-Artes and E. Pollak, Phys. Chem. Chem. Phys., 2022, 24, 15851) [...]

The Electron–Phonon Interaction at Vicinal Metal Surfaces Measured with Helium Atom Scattering

2023-11-30T18:37:13+01:00Tags: , , , |

Authors: Benedek, Giorgio; Miret-Artés, Salvador; Manson, Joseph R.; Toennies, Jan P. Journal: Nanomaterials Publication date: 2023/11/22 DOI: 10.3390/nano13232997 Abstract: Recently, it was demonstrated that inelastic helium atom scattering from conducting surfaces provides a direct measurement of the surface electron–phonon coupling constant (mass enhancement factor λ) via the temperature or the incident wave vector dependence of [...]

Molecular Oxygen Trimer: Multiplet Structures and Stability Copy

2023-11-30T18:25:14+01:00Tags: , , , |

Authors: Castro-Gomez, L. Beatriz; Campos-Martínez, José; Hernández, Marta I.; Hernandez-Lamoneda, Ramon Journal: CHEMPHYSCHEM Publication date: 2023/10/05 DOI: 10.1002/cphc.202300387 Abstract: We present a detailed theoretical study of the molecular oxygen trimer where the potential energy surfaces of the seven multiplet states have been calculated by means of a pair approximation with very accurate dimer ab initio [...]

Detection of a C4 Criegee Intermediate: Fourier-Transform Microwave Spectroscopy of Methacrolein Oxide

2023-11-30T18:13:50+01:00Tags: , , , |

Authors: Endo, Yasuki; Chung, Chen-An; Witek, Henryk A.; Cabezas, Carlos; Lee, Yuan-Pern Journal: JOURNAL OF PHYSICAL CHEMISTRY A Publication date: 2023/10/10 DOI: 10.1021/acs.jpca.3c05553 Abstract: Pure rotational transitions of methacrolein oxide (MACRO) were observed by Fourier-transform microwave spectroscopy. Among the four low-lying conformers existing within an energy window of 3 kcal/mol, only the lowest-energy conformer, the [...]

Isotope Effect in D2O Negative Ion Formation in Electron Transfer Experiments: DO-D Bond Dissociation Energy

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

Authors: Kumar, Sarvesh; Hoshino, Masamitsu; Kerkeni, Boutheina; Garcia, Gustavo; Limao-Vieira, Paulo Journal: JOURNAL OF PHYSICAL CHEMISTRY LETTERS Publication date: 2023/06/05 DOI: 10.1021/acs.jpclett.3c00786 Abstract: H2O/D2O negative ion time-of-flightmassspectra from electron transfer processes at different collision energieswith neutral potassium yield OH-/OD-, O-, and H-/D-. The branching ratios show a relevant energy dependence with animportant isotope effect in [...]

Inelastic N2+H2 collisions and quantum-classical rate coefficients: large datasets and machine learning predictions

2023-11-30T17:19:57+01:00Tags: , , |

Authors: Hong, Qizhen; Storchi, Loriano; Bartolomei, Massimiliano; Pirani, Fernando; Sun, Quanhua; Coletti, Cecilia Journal: EUROPEAN PHYSICAL JOURNAL D Publication date: 2023/07/01 DOI: 10.1140/epjd/s10053-023-00688-4 Abstract: Rate coefficients for vibrational energy transfer are calculated for collisions between molecular nitrogen and hydrogen in a wide range of temperature and of initial vibrational states (v = 40 for N-2 [...]

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 [...]

Helium nanodroplets as an efficient tool to investigate hydrogen attachment to alkali cations (vol 25, pg 462, 2023)

2023-11-30T17:19:53+01:00Tags: , , , |

Authors: Kollotzek, Siegfried; Campos-Martinez, Jose; Bartolomei, Massimiliano; Pirani, Fernando; Tiefenthaler, Lukas; Hernandez, Marta I.; Lazaro, Teresa; Zunzunegui-Bru, Eva; Gonzalez-Lezana, Tomas; Breton, Jose; Hernandez-Rojas, Javier; Echt, Olof; Scheier, Paul Journal: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Publication date: 2023/06/15 DOI: 10.1039/d3cp90119j Abstract:

Coupled-oscillator model to analyze the interaction between a quartz resonator and trapped ions

2023-11-30T17:19:48+01:00Tags: , , |

Authors: Altozano, E.; Berrocal, J.; Lohse, S.; Dominguez, F.; Block, M.; Garcia-Ripoll, J. J.; Rodriguez, D. Journal: PHYSICAL REVIEW A Publication date: 2023/05/30 DOI: 10.1103/PhysRevA.107.053116 Abstract: The novel application of a piezoelectric quartz resonator for the detection of trapped ions has enabled the observation of the quartz-ions interaction under nonequilibrium conditions, opening new perspectives for [...]

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