Publications by authors named "Stephane Rols"

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A combined inelastic neutron scattering and simulation study of the He@C endofullerene.
Mohamed Aouane, Jeff Armstrong, Mark Walkey, Gabriela Hoffman, George R Bacanu, Stéphane Rols

Phys Chem Chem Phys· August 2023

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Ne, Ar, and Kr oscillators in the molecular cavity of fullerene C60.
Tanzeeha Jafari, Anna Shugai, Urmas Nagel, George Razvan Bacanu, Mohamed Aouane, Stéphane Rols

J Chem Phys· June 2023

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CO and CO adsorption mechanism in Fe(pz)[Pt(CN)] probed by neutron scattering and density-functional theory calculations.
Ángel Fernández-Blanco, Lucía Piñeiro-López, Mónica Jiménez-Ruiz, Stephane Rols, José Antonio Real

Phys Chem Chem Phys· April 2023

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Manipulation of the crystalline phase diagram of hydrogen through nanoscale confinement effects in porous carbons.
Lui R Terry, Stephane Rols, Mi Tian, Ivan da Silva, Simon J Bending

Nanoscale· May 2022

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Experimental determination of the interaction potential between a helium atom and the interior surface of a C fullerene molecule.
George Razvan Bacanu, Tanzeeha Jafari, Mohamed Aouane, Jyrki Rantaharju, Mark Walkey, Stéphane Rols

J Chem Phys· October 2021

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Spin-phonon coupling and thermodynamic behaviour in YCrOand LaCrO: inelastic neutron scattering and lattice dynamics.
Mayanak K Gupta, Ranjan Mittal, Sanjay K Mishra, Prabhatasree Goel, Baltej Singh, Stephane Rols

J Phys Condens Matter· September 2020

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Inelastic neutron scattering: a novel approach towards determination of equilibrium isotopic fractionation factors. Size effects on heat capacity and beta-factor of diamond.
Andrey A Shiryaev, Veniamin B Polyakov, Stephane Rols, Antonio Rivera, Olga Shenderova

Phys Chem Chem Phys· June 2020

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Solid wetting-layers in inorganic nano-reactors: the water in imogolite nanotube case.
Geoffrey Monet, Erwan Paineau, Ziwei Chai, Mohamed S Amara, Andrea Orecchini, Stéphane Rols

Nanoscale Adv· May 2020

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Importance of Axial Symmetry in Elucidating Lanthanide-Transition Metal Interactions.
Niels A Bonde, Jonatan B Petersen, Mikkel A Sørensen, Ulla G Nielsen, Björn Fåk, Stéphane Rols

Inorg Chem· January 2020

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The Endofullerene HF@C: Inelastic Neutron Scattering Spectra from Quantum Simulations and Experiment, Validity of the Selection Rule, and Symmetry Breaking.
Minzhong Xu, Peter M Felker, Salvatore Mamone, Anthony J Horsewill, Stéphane Rols

J Phys Chem Lett· September 2019

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Chemical tunnel-splitting-engineering in a dysprosium-based molecular nanomagnet.
Mikkel A Sørensen, Ursula B Hansen, Mauro Perfetti, Kasper S Pedersen, Elena Bartolomé, Stéphane Rols

Nat Commun· March 2018

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Synthesis and Properties of Open Fullerenes Encapsulating Ammonia and Methane.
Sally Bloodworth, John Gräsvik, Shamim Alom, Karel Kouřil, Stuart J Elliott, Stéphane Rols

Chemphyschem· February 2018

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Anomalous lattice behavior of vanadium pentaoxide (VO): X-ray diffraction, inelastic neutron scattering and ab initio lattice dynamics.
Baltej Singh, Mayanak Kumar Gupta, Sanjay Kumar Mishra, Ranjan Mittal, P U Sastry, Stephane Rols

Phys Chem Chem Phys· July 2017

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Superionic conduction in β-eucryptite: inelastic neutron scattering and computational studies.
Baltej Singh, Mayanak Kumar Gupta, Ranjan Mittal, Mohamed Zbiri, Stephane Rols

Phys Chem Chem Phys· June 2017

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The dipolar endofullerene HF@C60.
Andrea Krachmalnicoff, Richard Bounds, Salvatore Mamone, Shamim Alom, Maria Concistrè, Stéphane Rols

Nat Chem· October 2016

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Experimental, theoretical and computational investigation of the inelastic neutron scattering spectrum of a homonuclear diatomic molecule in a nearly spherical trap: H@C.
Salvatore Mamone, Mónica Jiménez-Ruiz, Mark R Johnson, Stéphane Rols, Anthony J Horsewill

Phys Chem Chem Phys· October 2016

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Hydrogen motions in defective graphene: the role of surface defects.
Chiara Cavallari, Daniele Pontiroli, Mónica Jiménez-Ruiz, Mark Johnson, Matteo Aramini, Stéphane Rols

Phys Chem Chem Phys· September 2016

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Symmetry-breaking in the H2@C60 endofullerene revealed by inelastic neutron scattering at low temperature.
Salvatore Mamone, Mark R Johnson, Jacques Ollivier, Stéphane Rols, Malcolm H Levitt

Phys Chem Chem Phys· January 2016

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Design of Single-Molecule Magnets: Insufficiency of the Anisotropy Barrier as the Sole Criterion.
Kasper S Pedersen, Jan Dreiser, Høgni Weihe, Romain Sibille, Heini V Johannesen, Stephane Rols

Inorg Chem· August 2015

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Symmetry-breaking in the endofullerene H₂O@C6₆₀ revealed in the quantum dynamics of ortho and para-water: a neutron scattering investigation.
Kelvin S K Goh, Mónica Jiménez-Ruiz, Mark R Johnson, Stéphane Rols, Jacques Ollivier

Phys Chem Chem Phys· October 2014

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Confirming a predicted selection rule in inelastic neutron scattering spectroscopy: the quantum translator-rotator H2 entrapped inside C60.
Minzhong Xu, Mónica Jiménez-Ruiz, Mark R Johnson, Stéphane Rols, Shufeng Ye

Phys Rev Lett· September 2014

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Vibrational dynamics in dendridic oligoarylamines by Raman spectroscopy and incoherent inelastic neutron scattering.
Irena Kulszewicz-Bajer, Guy Louarn, David Djurado, Lukasz Skorka, Marek Szymanski, Stephane Rols

J Phys Chem B· May 2014

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X-ray scattering determination of the structure of water during carbon nanotube filling.
Erwan Paineau, Pierre-Antoine Albouy, Stéphan Rouzière, Andrea Orecchini, Stéphane Rols

Nano Lett· April 2013

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Central-atom size effects on the methyl torsions of Group XIV tetratolyls.
Maggie C C Ng, Jason B Harper, Anton P J Stampfl, Gordon J Kearley, Stéphane Rols

Chemistry· October 2012

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Ordering and dynamics of the central tetrahedron in the 1/1 Zn6Sc periodic approximant to quasicrystal.
Holger Euchner, Tsunetomo Yamada, Helmut Schober, Stephane Rols, Marek Mihalkovič

J Phys Condens Matter· October 2012

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