Ciro A. Guido
Citata da
Citata da
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
EXAT: EXcitonic analysis tool
S Jurinovich, L Cupellini, CA Guido, B Mennucci
Journal of Computational Chemistry 39 (5), 279-286, 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
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
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
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