A study into the effect of subtle structural details and disorder on the terahertz spectrum of crystalline benzoic acid R Li, JA Zeitler, D Tomerini, EPJ Parrott, LF Gladden, GM Day
Physical Chemistry Chemical Physics 12 (20), 5329-5340, 2010
87 2010 Emergence of hidden phases of methylammonium lead iodide upon compression JA Flores-Livas, D Tomerini, M Amsler, A Boziki, U Rothlisberger, ...
Physical Review Materials 2 (8), 085201, 2018
23 2018 Playing with isomerism and N substitution in pentalenedione derivatives for organic electrode batteries: how high are the stakes? D Tomerini, C Gatti, C Frayret
Physical Chemistry Chemical Physics 18 (4), 2442-2448, 2016
23 2016 Experimental and theoretical studies of tetramethoxy-p-benzoquinone: infrared spectra, structural and lithium insertion properties G Bonnard, AL Barrès, Y Danten, DG Allis, O Mentre, D Tomerini, C Gatti, ...
RSC advances 3 (41), 19081-19096, 2013
22 2013 Electronic structure and energy decomposition analyses as a tool to interpret the redox potential ranking of naphtho-, biphenyl-and biphenylene-quinone isomers D Tomerini, O Politano, C Gatti, C Frayret
Physical Chemistry Chemical Physics 18 (38), 26651-26660, 2016
15 2016 Engineering of unsubstituted quinoid-like frameworks enabling 2 V vs. Li+/Li redox voltage tunability and related derivatives D Tomerini, C Gatti, C Frayret
Physical Chemistry Chemical Physics 17 (14), 8604-8608, 2015
15 2015 Computational methods for the assignment of vibrational modes in crystalline materials D Tomerini, GM Day
Terahertz Spectroscopy and Imaging, 151-190, 2012
11 2012 Divalent path to enhance p-type conductivity in a SnO transparent semiconductor M Graužinytė, D Tomerini, S Goedecker, JA Flores-Livas
The Journal of Physical Chemistry C 123 (24), 14909-14913, 2019
5 2019 Maximum volume simplex method for automatic selection and classification of atomic environments and environment descriptor compression B Parsaeifard, D Tomerini, DS De, S Goedecker
The Journal of Chemical Physics 153 (21), 2020
4 2020 A computational analysis of the vibrational absorption of molecular solids in the teraherz range -- PhD thesis D Tomerini
University of Cambridge, 2012
4 * 2012 Relating Electrochemistry of New Organic Materials for Batteries and Fundamental Understanding through DFT Calculations C Frayret, D Tomerini, C Gatti, Y Danten, M Becuwe, F Dolhem, P Poizot
Advances in Science and Technology 93, 146-151, 2014
2 2014 Utilizing finger prints to construct the disconnectivity graph. D De, B Schaefer, S Saha, D Tomerini, SA Goedecker
Bulletin of the American Physical Society 64, 2019
2019 Studio teorico di proprietà di nanoparticelle con l'uso del modello" jellium" in approssimazione Hartree-Fock Ristretta -- Master thesis D Tomerini
Università degli studi, Pisa, 2007
2007 Comparison of potential energy surface between carbon based and silicon based fullerene configurations DS De, B Schaefer, S Saha, D Tomerini, S Goedecker