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Investigation of alkali and alkaline earth solvation structures in tetraglyme solvent

L. Nguyen T. Picard N. Sergent C. Raynaud J.-S. Filhol M.-L. Doublet
Physical Chemistry Chemical Physics

Mesoscopic simulations of the in situ NMR spectra of porous carbon based supercapacitors: Electronic structure and adsorbent reorganisation effects

Anagha Sasikumar Anouar Belhboub Camille Bacon Alexander Forse John Griffin Clare Grey Patrice Simon Céline Merlet
Physical Chemistry Chemical Physics

Intercalation–exfoliation processes during ionic exchange reactions from sodium lepidocrocite-type titanate toward a proton-based trititanate structure

Seongkoo Kang Serge Durand-Vidal Jean-Claude Badot Christophe Legein Monique Body Olaf Borkiewicz Olivier Dubrunfaut Damien Dambournet
Physical Chemistry Chemical Physics

A first-principles investigation of the structural and electrochemical properties of biredox ionic species in acetonitrile

Kyle Reeves Alessandra Serva Guillaume Jeanmairet Mathieu Salanne
Physical Chemistry Chemical Physics

Efficient prediction of Nucleus Independent Chemical Shifts for polycyclic aromatic hydrocarbons

Dimitrios Kilymis Albert Bartók Chris Pickard Alexander Forse Céline Merlet
Physical Chemistry Chemical Physics

On the measurement of intermolecular heteronuclear cross relaxation rates in ionic liquids

Pierre-Alexandre Martin Elodie Salager Maria Forsyth Luke O’dell Michaël Deschamps
Physical Chemistry Chemical Physics

Electrochemical behavior of Bi 4 B 2 O 9 towards lithium-reversible conversion reactions without nanosizing

Florian Strauss Gwenaëlle Rousse Dmitry Batuk Mingxue Tang Elodie Salager Goran Dražić Robert Dominko Jean‐marie Tarascon
Physical Chemistry Chemical Physics

Unveiling the electrochemical mechanisms of the Li 2 Fe(SO 4 ) 2 polymorphs by neutron diffraction and density functional theory calculations

Laura Lander Marine Reynaud Javier Carrasco Nebil A. Katcho Christophe Bellin Alain Polian Benoît Baptiste Gwenaëlle Rousse Jean‐marie Tarascon
Physical Chemistry Chemical Physics

Electrochemical activity and high ionic conductivity of lithium copper pyroborate Li<sub>6</sub>CuB<sub>4</sub>O<sub>10</sub>

F. Strauss G. Rousse D. Alves Dalla Corte M. Ben Hassine M. Saubanère M. Tang H. Vezin M. Courty R. Dominko J.-M. Tarascon
Physical Chemistry Chemical Physics

A combined 77Se NMR and molecular dynamics contribution to the structural understanding of the chalcogenide glasses

Kateryna Sykina Bruno Bureau Laurent Le Pollès Claire Roiland Michaël Deschamps Chris J. Pickard Eric Furet
Physical Chemistry Chemical Physics

Computer simulations of ionic liquids at electrochemical interfaces.

Céline Merlet Benjamin Rotenberg Paul A Madden Mathieu Salanne
Physical Chemistry Chemical Physics

In-depth safety-focused analysis of solvents used in electrolytes for large scale lithium ion batteries

Gebrekidan Gebreslase Eshetu Sylvie Grugeon Stéphane Laruelle Simeon Boyanov Amandine Lecocq Jean-Pierre Bertrand Guy Marlair
Physical Chemistry Chemical Physics