A spectroelectrochemical study of copper chloro-complexes for high performance all-copper redox flow batteries.
Spoke: Spoke 6 Ambito: Ecological transition based on HPC & data technology Autori: Giampaolo Lacarbonara, Nicolò Albanelli, Daniele Fazzi, Catia Arbizzani. Nome Rivista o serie: Electrochimica Acta Editore: Elsevier Accessibilità: Open Access Leggi qui: doi.org/10.1016/j.electacta.2023.142514
Disclosing Early Excited State Relaxation Events in Prototypical Linear Carbon Chains.
Spoke: Spoke 6 Ambito: Ecological transition based on HPC & data technology Autori: Piotr Kabaciński, Pietro Marabotti, Daniele Fazzi, Vasilis Petropoulos, Andrea Iudica, Patrick Serafini, Giulio Cerullo, Carlo S. Casari, Margherita Zavelani-Rossi. Nome Rivista o serie: Journal of the American Chemical Society Editore: ACS publications Accessibilità: Open Access Leggi qui: doi.org/10.1021/jacs.3c04163
Revealing the interplay between the structural complexity of triphenylamine redox derivatives and their charge transport processes via computational modeling.
Spoke: Spoke 6 Ambito: Ecological transition based on HPC & data technology Autori: Robert Herzhoff, Fabrizia Negri, Klaus Meerholz, Daniele Fazzi. Nome Rivista o serie: Journal of Material Chemistry C Editore: The Royal Society of Chemistry’s Accessibilità: Open Access Leggi qui: doi.org/10.1039/D3TC02206D
Solid state solvation: a fresh view.
Spoke: Spoke 6 Ambito: Ecological transition based on HPC & data technology Autori: Brunella Bardi, Davide Giavazzi, Elena Ferrari, Alessandro Iagatti, Mariangela Di Donato, D. K. Andrea Phan Huu, Francesco Di Maiolo, Cristina Sissa, Matteo Masino, Andrea Lapini, Anna Painelli. Nome Rivista o serie: Materials Horizons Editore: The Royal Society of Chemistry’s Accessibilità: Restricted Leggi […]
Ubiquitous Order‐Disorder Transition in the Mn Antisite Sublattice of the (MnBi2Te4)(Bi2Te3)n Magnetic Topological Insulators
Spoke: Spoke 6 Ambito: Ecological transition based on HPC & data technology Autori: Manaswini Sahoo, Ifeanyi John Onuorah, Laura Christina Folkers, Ekaterina Kochetkova, Evgueni V. Chulkov, Mikhail M. Otrokov, Ziya S. Aliev, Imamaddin R. Amiraslanov, Anja U. B. Wolter, Bernd Büchner, Laura Teresa Corredor, Chennan Wang, Zaher Salman, Anna Isaeva, Roberto De Renzi, Giuseppe Allodi […]
Accurate and Transferable Machine Learning Potential for Molecular Dynamics Simulation of Sodium Silicate Glasses.
Spoke: Spoke 6 Ambito: Ecological transition based on HPC & data technology Autori: Marco Bertani, Thibault Charpentier, Francesco Faglioni, Alfonso Pedone. Nome Rivista o serie: Journal of Chemical Theory and Computation Editore: ACS Accessibilità: Traditional publishing model Leggi qui: doi.org/10.1021/acs.jctc.3c01115
Accelerating NMR Shielding Calculations Through Machine Learning Methods: Application to Magnesium Sodium Silicate Glasses.
Spoke: Spoke 6 Ambito: Ecological transition based on HPC & data technology Autori: Marco Bertani, Alfonso Pedone, Francesco Faglioni, Thibault Charpentier. Nome Rivista o serie: ChemPhysChem Editore: Chemistry Europe Accessibilità: Open Access Leggi qui: doi.org/10.1002/cphc.202300782
Disorder-resilient transition of helical to conical ground states in M1/3NbS2, M=Cr,Mn
Spoke: Spoke 6 Ambito: Ecological transition based on HPC & data technology Autori: Manaswini Sahoo, Pietro Bonfà, Amelia. E. Hall, Daniel. A. Mayoh, Laura T. Corredor, Anja U.B. Wolter, Bernd Büchner, Geetha Balakrishnan, Roberto De Renzi, Giuseppe Allodi. Nome Rivista o serie: Editore: Accessibilità: Open Access CC BY-NC-ND 4.0 Leggi qui: doi.org/10.48550/arXiv.2410.01631
Chiroptical properties of cyanine aggregates: hierarchical modelling from monomers to bundles.
Spoke: Spoke 6 Ambito: Ecological transition based on HPC & data technology Autori: Francesco Bertocchi, Shahana Nizar, Cristina Sissa, Minghao Li, Thomas W. Ebbesen, Cyriaque Genet, Anna Painelli. Nome Rivista o serie: Chemical Science Editore: RSC Accessibilità: Open Access Leggi qui: doi.org/10.1039/D4SC04968C
Shedding light on thermally-activated delayed fluorescence.
Spoke: Spoke 6 Ambito: Ecological transition based on HPC & data technology Autori: Francesco Di Maiolo, D.K. Andrea Phan Huu, Andrea Landi, Ottavia Racchi, Davide Giavazzi, Anna Painelli. Nome Rivista o serie: Chemical Science Editore: RSC Accessibilità: Open Access Leggi qui: doi.org/10.1039/D4SC00033A
