Browsing by Author Padula, Daniele


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Issue DateTitleAuthor(s)Third Mission
2020Amplification of the chiroptical response of UV-Transparent amines and alcohols by: N-phthalimide derivatization enabling absolute configuration determination through ECD computational analysisPadula, Daniele ; Mazzeo, G.; Santoro, E.; Scafato, P.; Belviso, S.; Superchi, S.Not applicable
2012Analysis of the electronic circular dichroism spectrum of (-)-[9](2,5)pyridinophanePadula, Daniele ; Di Bari, L.; Santoro, F.; Gerlach, H.; Rizzo, A.Not applicable
2016The "case of Two Compounds with Similar Configuration but Nearly Mirror Image CD Spectra" Refuted. Reassignment of the Absolute Configuration of N-Formyl-3′,4′-dihydrospiro[indan-1,2′(1′H)-pyridine]Padula, Daniele ; Di Bari, L.; Pescitelli, G.Not applicable
2008A chemical/computational approach to the determination of absolute configuration of flexible and transparent molecules: Aliphatic diols as a case studyTartaglia, S.; Padula, Daniele ; Scafato, P.; Chiummiento, L.; Rosini, C.Not applicable
2017Chromophore-Dependent Intramolecular Exciton-Vibrational Coupling in the FMO Complex: Quantification and Importance for Exciton DynamicsPadula, Daniele ; Lee, M. H.; Claridge, K.; Troisi, A.Not applicable
2015A Combined Experimental-Computational Investigation to Uncover the Puzzling (Chiro-)optical Response of Pyridocyclophanes: One- and Two-Photon SpectraPadula, Daniele ; Lahoz, I. R.; Diaz, C.; Hernandez, F. E.; Di Bari, L.; Rizzo, A.; Santoro, F.; Cid, M. M.Not applicable
2013Combined use of three forms of chiroptical spectroscopies in the study of the absolute configuration and conformational properties of 3- phenylcyclopentanone, 3-phenylcyclohexanone, and 3-phenylcycloheptanoneScafato, P.; Caprioli, F.; Pisani, L.; Padula, Daniele ; Santoro, F.; Mazzeo, G.; Abbate, S.; Lebon, F.; Longhi, G.Not applicable
2019Combining electronic and structural features in machine learning models to predict organic solar cells propertiesPadula, Daniele ; Simpson, J. D.; Troisi, A.Not applicable
2019Concurrent Optimization of Organic Donor–Acceptor Pairs through Machine LearningPadula, Daniele ; Troisi, A.Not applicable
2015Diastereoselective recognition of α-mannoside by hemicryptophane receptorsSchmitt, A.; Chatelet, B.; Padula, Daniele ; Di Bari, L.; Dutasta, J. -P.; Martinez, A.Not applicable
2011Diversonol and blennolide derivatives from the endophytic fungus Microdiplodia sp.: Absolute configuration of diversonolSiddiqui, I. N.; Zahoor, A.; Hussain, H.; Ahmed, I.; Ahmad, V. U.; Padula, Daniele ; Draeger, S.; Schulz, B.; Meier, K.; Steinert, M.; Kurtan, T.; Florke, U.; Pescitelli, G.; Krohn, K.Not applicable
2013Electronic circular dichroism in exciton-coupled dimers: Vibronic spectra from a general all-coordinates quantum-dynamical approachPadula, Daniele ; Picconi, D.; Lami, A.; Pescitelli, G.; Santoro, F.Not applicable
2020Elucidating the Relationship between Multiradical Character and Predicted Singlet Fission ActivityOmar, O. H.; Padula, Daniele ; Troisi, A.Not applicable
2018How and how much molecular conformation affects electronic circular dichroism: The case of 1,1-diarylcarbinolsPadula, Daniele ; Pescitelli, G.Not applicable
2018How fine-tuned for energy transfer is the environmental noise produced by proteins around biological chromophores?Claridge, K.; Padula, Daniele ; Troisi, A.Not applicable
2017Importance and Nature of Short-Range Excitonic Interactions in Light Harvesting Complexes and Organic SemiconductorsFornari, R. P.; Rowe, P.; Padula, Daniele ; Troisi, A.Not applicable
2014Improved hemicryptophane hosts for the stereoselective recognition of glucopyranosidesSchmitt, A.; Perraud, O.; Payet, E.; Chatelet, B.; Bousquet, B.; Valls, M.; Padula, Daniele ; Di Bari, L.; Dutasta, J. -P.; Martinez, A.Not applicable
2013Intermolecular exciton coupling and vibronic effects in solid-state circular dichroism: A case studyPescitelli, G.; Padula, Daniele ; Santoro, F.Not applicable
2013Lignans from Schisandra sphenathera Rehd. et Wils. and semisynthetic schisantherin A analogues: Absolute configuration, and their estrogenic and anti-proliferative activityLiu, H. -W.; Yu, X. -Z.; Padula, Daniele ; Pescitelli, G.; Lin, Z. -W.; Wang, F.; Ding, K.; Lei, M.; Gao, J. -M.Not applicable
2014Magnetic circular dichroism of porphyrin lanthanide M3+ complexesAndrushchenko, V.; Padula, Daniele ; Zhivotova, E.; Yamamoto, S.; Bour, P.Not applicable