Alternative Fast and Slow Primary Charge‐Separation Pathways in Photosystem II von Capone, Matteo, Sirohiwal, Abhishek, Aschi, Massimiliano, Pantazis, Dimitrios A., Daidone, Isabella

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Theoretical-Computational Modeling of CD Spectra of Aqueous Monosaccharides by Means of Molecular Dynamics Simulations and Perturbed Matrix Method von Aschi, Massimiliano, Palombi, Laura, Amadei, Andrea

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A Simplified Treatment for Efficiently Modeling the Spectral Signal of Vibronic Transitions: Application to Aqueous Indole von Chen, Cheng Giuseppe, Aschi, Massimiliano, D'Abramo, Marco, Amadei, Andrea

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Product Selectivity Control in the Brønsted Acid-Mediated Reactions with 2-Alkynylanilines von Morlacci, Valerio, Aschi, Massimiliano, Chiarini, Marco, Momoli, Caterina, Palombi, Laura, Arcadi, Antonio

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Theoretical-Computational Modeling of Gas-State Thermodynamics in Flexible Molecular Systems: Ionic Liquids in the Gas Phase as a Case Study von Amadei, Andrea, Ciccioli, Andrea, Filippi, Antonello, Fraschetti, Caterina, Aschi, Massimiliano

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Electrochemical-Induced Cascade Reaction of 2-Formyl Benzonitrile with Anilines: Synthesis of N -Aryl Isoindolinones von Morlacci, Valerio, Caruso, Tonino, Chiarini, Marco, Arcadi, Antonio, Aschi, Massimiliano, Palombi, Laura

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Does Adsorption at Hydroxyapatite Surfaces Induce Peptide Folding? Insights from Large-Scale B3LYP Calculations von Rimola, Albert, Aschi, Massimiliano, Orlando, Roberto, Ugliengo, Piero

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A Combined Experimental and Computational Study of Halogen and Hydrogen Bonding in Molecular Salts of 5-Bromocytosine von Aschi, Massimiliano, Toto Brocchi, Giorgia, Portalone, Gustavo

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Plasmon-enhanced circular dichroism spectroscopy of chiral drug solutions von Venturi, Matteo, Adhikary, Raju, Sahoo, Ambaresh, Ferrante, Carino, Daidone, Isabella, Di Stasio, Francesco, Toma, Andrea, Tani, Francesco, Altug, Hatice, Mecozzi, Antonio, Aschi, Massimiliano, Marini, Andrea

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Theoretical-computational modelling of the vibrational relaxation of small inorganic species in condensed phase von Amadei, Andrea, Aschi, Massimiliano

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Theoretical modeling of UV-Vis absorption and emission spectra in liquid state systems including vibrational and conformational effects: explicit treatment of the vibronic transiti... von D'Abramo, Marco, Aschi, Massimiliano, Amadei, Andrea

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Effect of the Incorporation of Functionalized Cyclodextrins in the Liposomal Bilayer von Zappacosta, Romina, Cornelio, Benedetta, Pilato, Serena, Siani, Gabriella, Estour, François, Aschi, Massimiliano, Fontana, Antonella

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Visualizing Excited-State Dynamics of a Diaryl Thiophene: Femtosecond Stimulated Raman Scattering as a Probe of Conjugated Molecules von Batignani, Giovanni, Pontecorvo, Emanuele, Ferrante, Carino, Aschi, Massimiliano, Elles, Christopher G, Scopigno, Tullio

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Exploring the role of L209 residue in the active site of NDM-1 a metallo-β-lactamase von Marcoccia, Francesca, Leiros, Hanna-Kirsti S, Aschi, Massimiliano, Amicosante, Gianfranco, Perilli, Mariagrazia

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From the solution to the gas phase: A numerical experiment on the electrospray process of triprotonated Bradykinin von Aschi, Massimiliano

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On the Statistical Regime, Coherence versus Incoherence and Ergodicity of Quantum Vibrational Trajectories in Soft Condensed Molecular Systems von Amadei, Andrea, Aschi, Massimiliano

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Stationary and Time-Dependent Carbon Monoxide Stretching Mode Features in Carboxy Myoglobin: A Theoretical–Computational Reappraisal von Amadei, Andrea, Aschi, Massimiliano

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Ethyl 2-(12-Oxo-10,12-dihydroisoindolo[1,2-b] Quinazolin-10-yl) Acetate von Morlacci, Valerio, Aschi, Massimiliano, Chiarini, Marco, Massa, Antonio, Arcadi, Antonio, Palombi, Laura

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Experimental Results and Mechanistic Insights on the Reactions of Indolylmethyl Acetates with Soft Carbon Pronucleophiles von Arcadi, Antonio, Aschi, Massimiliano, Chiarini, Marco, Fabrizi, Giancarlo, Fochetti, Andrea, Goggiamani, Antonella, Iavarone, Federica, Iazzetti, Antonia, Serraiocco, Andrea, Zoppoli, Roberta

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Conformational analysis and UV/Vis spectroscopic properties of a rotaxane-based molecular machine in acetonitrile dilute solution: when simulations meet experiments von MANCINI, Giordano, ZAZZA, Costantino, ASCHI, Massimiliano, SANNA, Nico

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