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Issue DateTitleAuthor(s)Third Mission
2008An Artificial Molecular Switch that Mimics the Visual Pigment and Completes its Photocycle in PicosecondsSinicropi, Adalgisa ; Martin, E.; Ryasantsev, M.; Helbing, J.; Briand, J.; Sharma, D.; Leonard, J.; Haacke, S.; Canizzo, A.; Chergui, M.; Zanirato, V.; Fusi, Stefania ; Santoro, F.; Basosi, Riccardo ; Ferré, N.; Olivucci, Massimo Not applicable
2012Bathochromic shift in Green Fluorescent Protein: A puzzle for QM/MM approachesFilippi, Claudia; Buda, Francesco; Guidoni, Leonardo; Sinicropi, Adalgisa Not applicable
2015Catalytic surface radical in dye-decolorizing peroxidase: A computational, spectroscopic and site-directed mutagenesis studyDolores LINDE; Pogni, Rebecca ; Marina CANELLAS; Fátima LUCAS; Victor GUALLAR; Baratto, Maria Camilla ; Sinicropi, Adalgisa ; Verónica SÁEZ-JIMÉNEZ; Cristina COSCOLÍN; Antonio ROMERO; Francisco Javier MEDRANO; Francisco J. RUIZ-DUEÑAS; Angel T. MARTÍNEZNot applicable
2008Characterization of radical intermediates in the laccase-mediator systems. A multifrequency EPR, ENDOR, and DFT/PCM investigationBrogioni, B.; Biglino, D.; Sinicropi, Adalgisa ; Reijerse, E. J.; Giardina, P.; Sannia, G.; Lubitz, W.; Basosi, Riccardo ; Pogni, Rebecca Not applicable
2006Characterization of the conical intersection of the visual pigment rhodopsin at the CASPT2//CASSCF/AMBER level of theoryCoto, P. B.; Sinicropi, Adalgisa ; De Vico, Luca ; Olivucci, Massimo ; N., FerréNot applicable
2015Chromophore-Protein Coupling beyond Nonpolarizable Models: Understanding Absorption in Green Fluorescent ProteinDaday, Csaba; Curutchet, Carles; Sinicropi, Adalgisa ; Mennucci, Benedetta; Filippi, ClaudiaNot applicable
2007The cis/trans Isomerization of Cu(II)-bis-(glycinato) Complex in Solution: A Computer Aided Multifrequency EPR and DFT/PCM Calculations StudyPezzato, M.; DELLA LUNGA, G.; Baratto, Maria Camilla ; Sinicropi, Adalgisa ; Pogni, Rebecca ; Basosi, Riccardo Not applicable
2020Combined LCA and Green Metrics Approach for the Sustainability Assessment of an Organic Dye Synthesis on Lab ScaleParisi, Maria Laura ; Dessì, Alessio; Zani, Lorenzo; Maranghi, Simone; Mohammadpourasl, Sanaz; Calamante, Massimo; Mordini, Alessandro; Basosi, Riccardo ; Reginato, Gianna; Sinicropi, Adalgisa Not applicable
2019Combining Dithienosilole-Based Organic Dyes with a Brookite/Platinum Photocatalyst toward Enhanced Visible-Light-Driven Hydrogen ProductionBettucci, Ottavia; Skaltsas, Theodosis; Calamante, Massimo; Dessì, Alessio; Bartolini, Matteo; Sinicropi, Adalgisa ; Filippi, Jonathan; Reginato, Gianna; Mordini, Alessandro; Fornasiero, Paolo; Zani, LorenzoNot applicable
2014A Comparison of Carboxypyridine Isomers as Sensitizers for Dye-Sensitized Solar Cells: Assessment of Device Efficiency and StabilityFranchi, Daniele; Calamante, Massimo; Reginato, Gianna; Zani, Lorenzo; Peruzzini, Maurizio; Taddei, Maurizio ; Fabrizi De Biani, Fabrizia ; Basosi, Riccardo ; Sinicropi, Adalgisa ; Colonna, Daniele; Di Carlo, Aldo; Mordini, AlessandroNot applicable
2011Computation informed selection of parameters for protein radical EPR spectra simulation.Svistunenko, D. A.; Adelusi, M.; Dawson, M.; Robinson, P.; Bernini, Caterina; Sinicropi, Adalgisa ; Basosi, Riccardo Not applicable
2003Computational Study on the Origin of the Stereoselectivity for the Photochemical Denitrogenation of DiazabicyclohepteneSinicropi, Adalgisa ; Page, C. S.; Adam, W.; Olivucci, Massimo Not applicable
2000Conical Intersections in Charge-Transfer Induced QuenchingSinicropi, Adalgisa ; Pischel, U.; Basosi, Riccardo ; Nau, W. M.; Olivucci, Massimo Not applicable
2014Copper-induced structural propensities of the amyloidogenic region of human prion proteinMigliorini, C.; Sinicropi, Adalgisa ; Kozlowski, H.; Luczkowski, M.; Valensin, Daniela Not applicable
2021D-A-π-A organic dyes with tailored green light absorption for potential application in greenhouse-integrated Dye-Sensitized Solar CellsDessì, Alessio; Chalkias, Dimitris; Bilancia, Stefania; Sinicropi, Adalgisa ; Calamante, Massimo; Mordini, Alessandro; Karavioti, Aggeliki; Stathatos, Elias; Zani, Lorenzo; Reginato, GiannaNot applicable
2020Design, synthesis, structure, and photophysical features of highly emissive cinnamic derivativesPaolino, Marco ; Reale, Annalisa ; Razzano, V.; Giorgi, Gianluca ; Giuliani, Germano ; Villafiorita-Monteleone, F.; Botta, C.; Coppola, Carmen ; Sinicropi, Adalgisa ; Cappelli, Andrea Not applicable
2013Development of Dye Sensitized Solar Cells: a life cycle perspective for the environmental and market potential assessment of a renewable technologyParisi, Maria Laura ; Maranghi, Simone; Sinicropi, Adalgisa ; Basosi, Riccardo Not applicable
2018DFT modeling of structures and redox potentials of wild-type, Nickel-substituted and mutated (N47S/M121L, HPAz) AzurinSinicropi, Adalgisa Not applicable
2013Effects of the Protein Environment on the Spectral Properties of Tryptophan Radicals in Pseudomonas aeruginosa AzurinBernini, Caterina; Andruniów, T.; Olivucci, Massimo ; Pogni, Rebecca ; Basosi, Riccardo ; Sinicropi, Adalgisa Not applicable
2020Environmental analysis of a nano-grid: A Life Cycle AssessmentRossi, Federico; Parisi, Maria Laura ; Maranghi, Simone; Basosi, Riccardo ; Sinicropi, Adalgisa Not applicable