| On the metric of charge transfer molecular excitations: a simple chemical descriptor CA Guido, P Cortona, B Mennucci, C Adamo Journal of chemical theory and computation 9 (7), 3118-3126, 2013 | 316 | 2013 |
| Practical computation of electronic excitation in solution: vertical excitation model AV Marenich, CJ Cramer, DG Truhlar, CA Guido, B Mennucci, G Scalmani, ... Chemical Science 2 (11), 2143-2161, 2011 | 206 | 2011 |
| Structures and properties of electronically excited chromophores in solution from the polarizable continuum model coupled to the time-dependent density functional theory B Mennucci, C Cappelli, CA Guido, R Cammi, J Tomasi The Journal of Physical Chemistry A 113 (13), 3009-3020, 2009 | 203 | 2009 |
| A fully automated implementation of VPT2 Infrared intensities V Barone, J Bloino, CA Guido, F Lipparini Chemical Physics Letters 496 (1-3), 157-161, 2010 | 150 | 2010 |
| Planar vs. twisted intramolecular charge transfer mechanism in Nile Red: new hints from theory CA Guido, B Mennucci, D Jacquemin, C Adamo Physical Chemistry Chemical Physics 12 (28), 8016-8023, 2010 | 147 | 2010 |
| Communication: One third: A new recipe for the PBE0 paradigm CA Guido, E Brémond, C Adamo, P Cortona The Journal of Chemical Physics 138 (2), 021104, 2013 | 129 | 2013 |
| Benchmarking Time-Dependent Density Functional Theory for Excited State Geometries of Organic Molecules in Gas-Phase and in Solution CA Guido, S Knecht, J Kongsted, B Mennucci Journal of Chemical Theory and Computation, 2013 | 118 | 2013 |
| Electronic Excitations in Solution: The Interplay between State Specific Approaches and a TD-DFT Description. CA Guido, D Jacquemin, C Adamo, B Mennucci Journal of Chemical Theory and Computation, 2015 | 117* | 2015 |
| Circularly polarized luminescence from axially chiral BODIPY DYEmers: an experimental and computational study F Zinna, T Bruhn, CA Guido, J Ahrens, M Bröring, L Di Bari, G Pescitelli Chemistry–A European Journal 22 (45), 16089-16098, 2016 | 112 | 2016 |
| On the TD-DFT accuracy in determining single and double bonds in excited-state structures of organic molecules CA Guido, D Jacquemin, C Adamo, B Mennucci The Journal of Physical Chemistry A 114 (51), 13402-13410, 2010 | 85 | 2010 |
| An Ab Initio Description of the Excitonic Properties of LH2 and Their Temperature Dependence L Cupellini, S Jurinovich, M Campetella, S Caprasecca, CA Guido, ... The Journal of Physical Chemistry B 120 (44), 11348-11359, 2016 | 63 | 2016 |
| Effective electron displacements: A tool for time-dependent density functional theory computational spectroscopy CA Guido, P Cortona, C Adamo The Journal of Chemical Physics 140 (10), 104101, 2014 | 62 | 2014 |
| The Bethe-Salpeter Formalism with Polarisable Continuum Embedding: Reconciling Linear-Response and State-Specific Features I Duchemin, CA Guido, D Jacquemin, X Blase Chemical Science, 2018 | 57 | 2018 |
| Coupling to charge transfer states is the key to modulate the optical bands for efficient light harvesting in purple bacteria L Cupellini, S Caprasecca, CA Guido, F Müh, T Renger, B Mennucci The Journal of Physical Chemistry Letters 9 (23), 6892-6899, 2018 | 56 | 2018 |
| The Fate of a Zwitterion in Water from Ab-Initio Molecular Dynamics: Monoethanolamine (MEA)-CO2 CA Guido, F Pietrucci, GA Gallet, W Andreoni Journal of Chemical Theory and Computation 9, 28, 2012 | 55 | 2012 |
| First-principles investigation of the double ESIPT process in a thiophene-based dye PM Vérité, CA Guido, D Jacquemin Physical Chemistry Chemical Physics 21 (5), 2307-2317, 2019 | 41 | 2019 |
| EXAT: EXcitonic analysis tool S Jurinovich, L Cupellini, CA Guido, B Mennucci Journal of Computational Chemistry 39 (5), 279-286, 2018 | 37 | 2018 |
| Excited state dipole moments in solution: comparison between state-specific and linear-response TD-DFT values CA Guido, B Mennucci, G Scalmani, D Jacquemin Journal of chemical theory and computation 14 (3), 1544-1553, 2018 | 33 | 2018 |
| Metrics for Molecular Electronic Excitations: A Comparison Between Orbital- and Density-Based Descriptors M Savarese, CA Guido, E Bremond, I Ciofini, C Adamo J. Phys. Chem. A, DOI: 10.1021/acs.jpca.7b07080, 2017 | 33 | 2017 |
| The role of magnetic-electric coupling in exciton-coupled ECD spectra. The case of bis-phenanthrenes. S Jurinovich, CA Guido, T Bruhn, G Pescitelli, B Mennucci Chemical Communications 51, 10498-10501, 2015 | 32 | 2015 |
Benedetta MennucciDepartment of Chemistry, University of PisaEmail verificata su dcci.unipi.it
