1. Accuracy of Computational Chemistry Methods to Calculate Organic Contaminant Molecular Properties. Issue 48 (21st December 2022) Authors: Bonnot, Kevin; Benoit, Pierre; Hoyau, Sophie; Mamy, Laure; Patureau, Dominique; Servien, Rémi; Rapacioli, Mathias; Bessac, Fabienne Journal: ChemistrySelect Issue: Volume 7:Issue 48(2022) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. An extended DFTB-CI model for charge-transfer excited states in cationic molecular clusters: model studies versus ab initio calculations in small PAH clusters. Issue 5 (11th January 2016) Authors: Dontot, Léo; Suaud, Nicolas; Rapacioli, Mathias; Spiegelman, Fernand Journal: Physical chemistry chemical physics Issue: Volume 18:Issue 5(2016) Page Start: 3545 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Atomic hydrogen interactions with gas-phase coronene cations: hydrogenation versus fragmentation. Issue 35 (27th June 2018) Authors: Rapacioli, Mathias; Cazaux, Stéphanie; Foley, Nolan; Simon, Aude; Hoekstra, Ronnie; Schlathölter, Thomas Journal: Physical chemistry chemical physics Issue: Volume 20:Issue 35(2018) Page Start: 22427 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. ChemInform Abstract: Modelling Polycyclic Aromatic Hydrocarbons and Their Derivatives. Issue 10 (March 2015) Authors: Rapacioli, Mathias Journal: ChemInform Issue: Volume 46:Issue 10(2015) Page Start: no Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Collision-induced dissociation of protonated uracil water clusters probed by molecular dynamics simulations. Issue 48 (3rd December 2021) Authors: Zheng, Linjie; Cuny, Jérôme; Zamith, Sébastien; L'Hermite, Jean-Marc; Rapacioli, Mathias Journal: Physical chemistry chemical physics Issue: Volume 23:Issue 48(2021) Page Start: 27404 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Density-functional tight-binding approach for metal clusters, nanoparticles, surfaces and bulk: application to silver and gold. (5th July 2018) Authors: Cuny, Jérôme; Tarrat, Nathalie; Spiegelman, Fernand; Huguenot, Arthur; Rapacioli, Mathias Journal: Journal of physics Issue: Volume 30:Number 30(2018) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Density-functional tight-binding: basic concepts and applications to molecules and clusters. Issue 1 (1st January 2020) Authors: Spiegelman, Fernand; Tarrat, Nathalie; Cuny, Jérôme; Dontot, Leo; Posenitskiy, Evgeny; Martí, Carles; Simon, Aude; Rapacioli, Mathias Journal: Advances in physics: X Issue: Volume 5:Issue 1(2020) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Electronic effects in the dissociative ionisation of pyrene clusters. Issue 6 (25th January 2023) Authors: Garcia, Gustavo A.; Dontot, Léo; Rapacioli, Mathias; Spiegelman, Fernand; Bréchignac, Philippe; Nahon, Laurent; Joblin, Christine Journal: Physical chemistry chemical physics Issue: Volume 25:Issue 6(2023) Page Start: 4501 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. PDRs4All: A JWST Early Release Science Program on Radiative Feedback from Massive Stars. (1st May 2022) Authors: Berné, Olivier; Habart, Émilie; Peeters, Els; Abergel, Alain; Bergin, Edwin A.; Bernard-Salas, Jeronimo; Bron, Emeric; Cami, Jan; Dartois, Emmanuel; Fuente, Asunción; Goicoechea, Javier R.; Gordon, Karl D.; Okada, Yoko; Onaka, Takashi; Robberto, Massimo; Röllig, Markus; Tielens, Alexander G. G. M... Journal: Publications of the Astronomical Society of the Pacific Issue: Volume 134:Number 1035(2022) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Phase changes of the water hexamer and octamer in the gas phase and adsorbed on polycyclic aromatic hydrocarbons1. Issue 26 (14th July 2015) Authors: Oliveira, Luiz Fernando L.; Cuny, Jérôme; Morinière, Maxime; Dontot, Léo; Simon, Aude; Spiegelman, Fernand; Rapacioli, Mathias Journal: Physical chemistry chemical physics Issue: Volume 17:Issue 26(2015) Page Start: 17079 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗