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The Journal of Chemical Physics|February 3, 2018
Communication: Evaluating non-empirical double hybrid functionals for spin-state energetics in transition-metal complexesLiam Wilbraham, Carlo Adamo, Ilaria CiofiniJournal of Chemical Theory and Computation|May 28, 2016
Electrostatic Embedding To Model the Impact of Environment on Photophysical Properties of Molecular Crystals: A Self-Consistent Charge Adjustment ProcedureLiam Wilbraham, Carlo Adamo, Frédéric Labat, et al.The Journal of Physical Chemistry. B|September 11, 2014
Describing excited state intramolecular proton transfer in dual emissive systems: a density functional theory based analysisLiam Wilbraham, Marika Savarese, Nadia Rega, et al.Physical Chemistry Chemical Physics : PCCP|October 11, 2016
Modelling photophysical properties of metal-organic frameworks: a density functional theory based approachLiam Wilbraham, François-Xavier Coudert, Ilaria CiofiniThe Journal of Physical Chemistry. A|June 5, 2007
Accurate evaluation of valence and low-lying Rydberg states with standard time-dependent density functional theoryIlaria Ciofini, Carlo AdamoJournal of Computational Chemistry|May 12, 2021
Modeling UV-Vis spectra of low dimensional materials using electrostatic embedding: The case of CdSeDavide Luise, Liam Wilbraham, Frédéric Labat, et al.Journal of Computational Chemistry|November 21, 2025
Emission Using Adaptable Range Separated Hybrids: Thermally Activated Delayed Fluorescence Emitters as Test CaseTianhong Yan, Carlo Adamo, Ilaria CiofiniThe Journal of Chemical Physics|August 7, 2009
Modeling ZnO phases using a periodic approach: from bulk to surface and beyondFrédéric Labat, Ilaria Ciofini, Carlo AdamoPhysical Chemistry Chemical Physics : PCCP|October 29, 2013
Evaluating push-pull dye efficiency using TD-DFT and charge transfer indicesGregorio García, Carlo Adamo, Ilaria CiofiniThe Journal of Chemical Physics|October 12, 2004
Complete structural and magnetic characterization of biological radicals in solution by an integrated quantum mechanical approach: glycyl radical as a case studyIlaria Ciofini, Carlo Adamo, Vincenzo BaronePageof 30