Search Results - Tomerini, Daniele

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  1. 1
    Experimental and theoretical studies of tetramethoxy-p-benzoquinone: infrared spectra, structural and lithium insertion properties

    Experimental and theoretical studies of tetramethoxy-p-benzoquinone: infrared spectra, structural and lithium insertion properties by Bonnard, Gaëtan, Barrès, Anne-Lise, Danten, Yann, Allis, Damian G., Mentré, Olivier, Tomerini, Daniele, Gatti, Carlo, Izgorodina, Ekaterina I., Poizot, Philippe, Frayret, Christine

    Published in RSC advances
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  2. 2
    Maximum volume simplex method for automatic selection and classification of atomic environments and environment descriptor compression

    Maximum volume simplex method for automatic selection and classification of atomic environments and environment descriptor compression by Parsaeifard, Behnam, Tomerini, Daniele, De, Deb Sankar, Goedecker, Stefan

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  3. 3
    Playing with isomerism and N substitution in pentalenedione derivatives for organic electrode batteries: how high are the stakes?

    Playing with isomerism and N substitution in pentalenedione derivatives for organic electrode batteries: how high are the stakes? by Tomerini, Daniele, Gatti, Carlo, Frayret, Christine

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  4. 4
    Electronic structure and energy decomposition analyses as a tool to interpret the redox potential ranking of naphtho-, biphenyl- and biphenylenequinone isomers

    Electronic structure and energy decomposition analyses as a tool to interpret the redox potential ranking of naphtho-, biphenyl- and biphenylenequinone isomers by Tomerini, Daniele, Politano, O., Gatti, C., Frayret, Christine

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  5. 5
    Divalent Path to Enhance p‑Type Conductivity in a SnO Transparent Semiconductor

    Divalent Path to Enhance p‑Type Conductivity in a SnO Transparent Semiconductor by Graužinytė, Miglė, Tomerini, Daniele, Goedecker, Stefan, Flores-Livas, José A

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  6. 6
    Emergence of hidden phases of methylammonium lead iodide ( CH 3 NH 3 PbI 3 ) upon compression

    Emergence of hidden phases of methylammonium lead iodide ( CH 3 NH 3 PbI 3 ) upon compression by Flores-Livas, José A., Tomerini, Daniele, Amsler, Maximilian, Boziki, Ariadni, Rothlisberger, Ursula, Goedecker, Stefan

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  7. 7
    A study into the effect of subtle structural details and disorder on the terahertz spectrum of crystalline benzoic acid

    A study into the effect of subtle structural details and disorder on the terahertz spectrum of crystalline benzoic acid by RUOYU LI, AXEL ZEITLER, J, TOMERINI, Daniele, PARROTT, Edward P. J, GLADDEN, Lynn F, DAY, Graeme M

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  8. 8
    A study into the effect of subtle structural details and disorder on the terahertz spectrum of crystalline benzoic acidElectronic supplementary information (ESI) available: Lattice energy minimised unit cells of the disordered models; a full listing of calculated vibrational frequencies in the terahertz region and xyz files describing the vibrational modes (in a format suitable for visualisation using JMol). See DOI: 10.1039/b926536h

    A study into the effect of subtle structural details and disorder on the terahertz spectrum of crystalline benzoic acidElectronic supplementary information (ESI) available: Lattice... by Li, Ruoyu, Zeitler, J. Axel, Tomerini, Daniele, Parrott, Edward P. J, Gladden, Lynn F, Day, Graeme M

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  9. 9
    Maximum volume simplex method for automatic selection and classification of atomic environments and environment descriptor compression

    Maximum volume simplex method for automatic selection and classification of atomic environments and environment descriptor compression by Parsaeifard, Behnam, Tomerini, Daniele, De, Deb Sankar, Goedecker, Stefan

    Published in arXiv.org
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  10. 10
    Emergence of hidden phases of methylammonium lead-iodide (CH\(_3\)NH\(_3\)PbI\(_3\)) upon compression

    Emergence of hidden phases of methylammonium lead-iodide (CH\(_3\)NH\(_3\)PbI\(_3\)) upon compression by Flores-Livas, José A, Tomerini, Daniele, Amsler, Maximilian, Boziki, Ariadni, Rothlisberger, Ursula, Goedecker, Stefan

    Published in arXiv.org
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