On the Metric of Charge Transfer Molecular Excitations: A Simple Chemical Descriptor von Guido, Ciro A, Cortona, Pietro, Mennucci, Benedetta, Adamo, Carlo

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Coupling to Charge Transfer States is the Key to Modulate the Optical Bands for Efficient Light Harvesting in Purple Bacteria von Cupellini, Lorenzo, Caprasecca, Stefano, Guido, Ciro A, Müh, Frank, Renger, Thomas, Mennucci, Benedetta

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Communication: one third: a new recipe for the PBE0 paradigm von Guido, Ciro A, Brémond, Eric, Adamo, Carlo, Cortona, Pietro

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Circularly Polarized Luminescence from Axially Chiral BODIPY DYEmers: An Experimental and Computational Study von Zinna, Francesco, Bruhn, Torsten, Guido, Ciro A., Ahrens, Johannes, Bröring, Martin, Di Bari, Lorenzo, Pescitelli, Gennaro

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Benchmarking Time-Dependent Density Functional Theory for Excited State Geometries of Organic Molecules in Gas-Phase and in Solution von Guido, Ciro A, Knecht, Stefan, Kongsted, Jacob, Mennucci, Benedetta

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EXAT: EXcitonic analysis tool von Jurinovich, Sandro, Cupellini, Lorenzo, Guido, Ciro A., Mennucci, Benedetta

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Planar vs. twisted intramolecular charge transfer mechanism in Nile Red: new hints from theory von GUIDO, Ciro A, MENNUCCI, Benedetta, JACQUEMIN, Denis, ADAMO, Carlo

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Effective electron displacements: a tool for time-dependent density functional theory computational spectroscopy von Guido, Ciro A, Cortona, Pietro, Adamo, Carlo

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Practical computation of electronic excitation in solution: vertical excitation model von Marenich, Aleksandr V., Cramer, Christopher J., Truhlar, Donald G., Guido, Ciro A., Mennucci, Benedetta, Scalmani, Giovanni, Frisch, Michael J.

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The role of magnetic-electric coupling in exciton-coupled ECD spectra: the case of bis-phenanthrenes von Jurinovich, Sandro, Guido, Ciro A, Bruhn, Torsten, Pescitelli, Gennaro, Mennucci, Benedetta

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On the TD-DFT Accuracy in Determining Single and Double Bonds in Excited-State Structures of Organic Molecules von Guido, Ciro A, Jacquemin, Denis, Adamo, Carlo, Mennucci, Benedetta

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The Fate of a Zwitterion in Water from ab Initio Molecular Dynamics: Monoethanolamine (MEA)-CO2 von Guido, Ciro A, Pietrucci, Fabio, Gallet, Grégoire A, Andreoni, Wanda

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Simple Protocol for Capturing Both Linear-Response and State-Specific Effects in Excited-State Calculations with Continuum Solvation Models von Guido, Ciro A, Chrayteh, Amara, Scalmani, Giovanni, Mennucci, Benedetta, Jacquemin, Denis

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The Bethe-Salpeter formalism with polarisable continuum embedding: reconciling linear-response and state-specific features von Duchemin, Ivan, Guido, Ciro A, Jacquemin, Denis, Blase, Xavier

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On the description of the environment polarization response to electronic transitions von Guido, Ciro A., Caprasecca, Stefano

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First-principles investigation of the double ESIPT process in a thiophene-based dye von Vérité, Pauline M, Guido, Ciro A, Jacquemin, Denis

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An open quantum system theory for polarizable continuum models von Guido, Ciro A., Rosa, Marta, Cammi, Roberto, Corni, Stefano

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Investigating ultrafast two-pulse experiments on single DNQDI fluorophores: a stochastic quantum approach von Dall'Osto, Giulia, Coccia, Emanuele, Guido, Ciro A, Corni, Stefano

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CPL calculations of [7]helicenes with alleged exceptional emission dissymmetry values von Guido, Ciro A, Zinna, Francesco, Pescitelli, Gennaro

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A fully automated implementation of VPT2 Infrared intensities von Barone, Vincenzo, Bloino, Julien, Guido, Ciro A., Lipparini, Filippo

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