Sfoglia per Autore
Calorimetric investigation of the aggregation of lithium perfluorooctanoate on poly (ethyleneglycol) oligomers in water
2006-01-01 Gianni, PAOLO ANGELO; Bernazzani, Luca; Guido, Ciro Achille; Mollica, Vincenzo
Structures and Properties of Electronically Excited Chromophores in Solution from the Polarizable Continuum Model Coupled to the Time-Dependent Density Functional Theory
2009-01-01 Mennucci, Benedetta; Cappelli, Chiara; Guido, Ciro Achille; R., Cammi; J., Tomasi
Planar versus twisted intramolecular charge transfer mechanism in Nile Red: new hints from theory
2010-01-01 Guido, Ciro Achille; Mennucci, Benedetta; D., Jacquemin; C., Adamo
On the TD-DFT Accuracy in Determining Single and Double Bonds in Excited-State Structures of Organic Molecules
2010-01-01 Guido, Ciro Achille; D., Jacquemin; C., Adamo; Mennucci, Benedetta
A fully automated implementation of VPT2 Infrared intensities
2010-01-01 Vincenzo, Barone; Julien, Bloino; Guido, Ciro Achille; Lipparini, Filippo
Practical computation of electronic excitation in solution: vertical excitation model
2011-01-01 Aleksandr V., Marenich; Christopher J., Cramer; Donald G., Truhlar; Guido, Ciro Achille; Mennucci, Benedetta; Giovanni, Scalmani; Michael J., Frisch
On the Metric of Charge Transfer Molecular Excitations: A Simple Chemical Descriptor
2013-01-01 Guido, Ciro Achille; Pietro, Cortona; Mennucci, Benedetta; Carlo, Adamo
Communication: One third: A new recipe for the PBE0 paradigm
2013-01-01 Guido, Ciro Achille; Eric, Brémond; Carlo, Adamo; Pietro, Cortona
The Fate of a Zwitterion in Water from Ab-Initio Molecular Dynamics: Monoethanolamine (MEA)-CO2
2013-01-01 Guido, Ciro Achille; Fabio, Pietrucci; Gregoire A., Gallet; Wanda, Andreoni
Benchmarking Time-Dependent Density Functional Theory for Excited State Geometries of Organic Molecules in Gas-Phase and in Solution
2013-01-01 Guido, Ciro Achille; Stefan, Knecht; Jacob, Kongsted; Mennucci, Benedetta
Effective electron displacements: A tool for time-dependent density functional theory computational spectroscopy
2014-01-01 Guido, Ciro Achille; Pietro, Cortona; Carlo, Adamo
Circular Dichroism and TDDFT Investigation of Chiral Fluorinated Aryl Benzyl Sulfoxides
2015-01-01 Berardozzi, Roberto; Guido, Ciro Achille; Capozzi, Maria Annunziata M.; Cardellicchio, Cosimo; DI BARI, Lorenzo; Pescitelli, Gennaro
Circularly Polarized Luminescence from Axially Chiral BODIPY DYEmers: An Experimental and Computational Study
2016-01-01 Zinna, Francesco; Bruhn, Torsten; Guido, Ciro Achille; Ahrens, Johannes; Bröring, Martin; DI BARI, Lorenzo; Pescitelli, Gennaro
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