218 citations
- Université de RennesFR111 papers
- Centre National de la Recherche ScientifiqueFR108 papers
- École Nationale Supérieure de Chimie de RennesFR56 papers
- Université Rennes 1FR24 papers
- Institut National des Sciences Appliquées de RennesFR23 papers
- Fonctions Optiques pour les Technologies de l’informationFR20 papers
- Université de LilleFR17 papers
- Institut de Physique de RennesFR16 papers
- University of CologneDE16 papers
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- Commissariat à l'Énergie Atomique et aux Énergies AlternativesFR9 papers
- Université Paris-SaclayFR9 papers
16 papers · 1 filter
Parity violation effects in helical osmocene: theoretical analysis and experimental prospects
Eduardus, Agathe Bonifacio, Mathieu Manceau +11
We present a computational investigation of the parity-violating (PV) contributions to the vibrational transitions and nuclear magnetic resonance shieldings of helical osmocene. A…
High-Resolution Infrared Spectroscopy and ASAP Analysis of Cyclopentadiene: The Vibrational Modes below 860 cm and the Mode at 961 cm
Luis Bonah, Marie-Aline Martin-Drumel, Olivier Pirali +9
The spectroscopic fingerprints of vibrationally excited states of astronomical molecules are interesting for multiple reasons. They are excellent temperature probes of the correspo…
\emph{Ab initio} derivation of the crystal field parameters for lanthanide ions: The f case
Dumitru-Claudiu Sergentu, Gwenhaël Duplaix-Rata, Ionel Humelnicu +2
The crystal field theory as explained by Abragam and Bleaney in their landmark 1970 book on transition-ion electron paramagnetic resonance remains a cornerstone in the development…
Leveraging MMW-MMW Double Resonance Spectroscopy to Understand the Pure Rotational Spectrum of Glycidaldehyde and 17 of Its Vibrationally Excited States
Luis Bonah, Jean-Claude Guillemin, Arnaud Belloche +3
Broadband measurements of glycidaldehyde in the frequency ranges 75-170 and 500-750 GHz were recorded to extend previous analyses of its pure rotational spectrum in the microwave r…
Excited State Absorption: Reference Oscillator Strengths, Wavefunction and TD-DFT Benchmarks
Jakub Širůček, Boris Le Guennic, Yann Damour +2
Excited-state absorption (ESA) corresponds to the transition between two electronic excited states and is a fundamental process for probing and understanding light-matter interacti…
Extending the rotational spectrum of cyclopentadiene towards higher frequencies and vibrational states
Luis Bonah, Benedikt Helmstaedter, Jean-Claude Guillemin +2
Cyclopentadiene (c-C5H6) is a cyclic pure hydrocarbon that was already detected astronomically towards the prototypical dark cloud TMC-1 (Cernicharo et al. 2021, Astron. Astrophys.…