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Ciro A. Guido
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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
4262013
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
2382011
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
2162009
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
1772010
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
1672010
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
1642013
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
1502016
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
1462013
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
142*2015
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
1002010
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
772018
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
752016
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
752014
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
722018
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
612012
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
532019
EXAT: EXcitonic analysis tool
S Jurinovich, L Cupellini, CA Guido, B Mennucci
Journal of Computational Chemistry 39 (5), 279-286, 2018
512018
Simple protocol for capturing both linear-response and state-specific effects in excited-state calculations with continuum solvation models
CA Guido, A Chrayteh, G Scalmani, B Mennucci, D Jacquemin
Journal of Chemical Theory and Computation 17 (8), 5155-5164, 2021
492021
Hybrid theoretical models for molecular nanoplasmonics
SC E. Coccia, J. Fregoni, C. A. Guido, M. Marsili, S. Pipolo
The Journal of Chemical Physics 153, 200901, 2020
442020
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
442017
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