Articles with public access mandates - Benedetta MennucciLearn more
Not available anywhere: 26
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 9 (5), 2209-2220, 2013
Mandates: Danish Council for Technology and Innovation
Electronic excitations in solution: the interplay between state specific approaches and a time-dependent density functional theory description
CA Guido, D Jacquemin, C Adamo, B Mennucci
Journal of chemical theory and computation 11 (12), 5782-5790, 2015
Mandates: European Commission
Multiscale modelling of photoinduced processes in composite systems
B Mennucci, S Corni
Nature Reviews Chemistry 3 (5), 315-330, 2019
Mandates: European Commission
The Fenna–Matthews–Olson protein revisited: A fully polarizable (TD) DFT/MM description
S Jurinovich, C Curutchet, B Mennucci
ChemPhysChem 15 (15), 3194-3204, 2014
Mandates: European Commission, Government of Spain
Toward reliable prediction of the energy ladder in multichromophoric systems: A benchmark study on the FMO light-harvesting complex
NH List, C Curutchet, S Knecht, B Mennucci, J Kongsted
Journal of chemical theory and computation 9 (11), 4928-4938, 2013
Mandates: Danish Council for Independent Research
On the photophysics of carotenoids: a multireference DFT study of peridinin
S Knecht, CM Marian, J Kongsted, B Mennucci
The Journal of Physical Chemistry B 117 (44), 13808-13815, 2013
Mandates: Danish Council for Technology and Innovation
Classical force fields tailored for QM applications: Is it really a feasible strategy?
O Andreussi, IG Prandi, M Campetella, G Prampolini, B Mennucci
Journal of chemical theory and computation 13 (10), 4636-4648, 2017
Mandates: European Commission
Optical signatures of OBO fluorophores: a theoretical analysis
S Chibani, A Charaf-Eddin, B Mennucci, B Le Guennic, D Jacquemin
Journal of Chemical Theory and Computation 10 (2), 805-815, 2014
Mandates: European Commission
The modeling of the absorption lineshape for embedded molecules through a polarizable QM/MM approach
D Loco, S Jurinovich, L Cupellini, MFSJ Menger, B Mennucci
Photochemical & Photobiological Sciences 17, 552-560, 2018
Mandates: European Commission
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
Mandates: European Commission
Simulation of electronic circular dichroism of nucleic acids: From the structure to the spectrum
D Padula, S Jurinovich, L Di Bari, B Mennucci
Chemistry–A European Journal 22 (47), 17011-17019, 2016
Mandates: European Commission
Excited-state geometries of solvated molecules: going beyond the linear-response polarizable continuum model
S Chibani, AD Laurent, A Blondel, B Mennucci, D Jacquemin
Journal of Chemical Theory and Computation 10 (5), 1848-1851, 2014
Mandates: European Commission
Nonequilibrium environment dynamics in a frequency-dependent polarizable embedding model
A Wildman, G Donati, F Lipparini, B Mennucci, X Li
Journal of Chemical Theory and Computation 15 (1), 43-51, 2018
Mandates: US National Science Foundation, US Department of Energy
Solvent effects on cyanine derivatives: a PCM investigation
D Jacquemin, S Chibani, B Le Guennic, B Mennucci
The Journal of Physical Chemistry A 118 (28), 5343-5348, 2014
Mandates: European Commission
A Theoretical and Experimental Investigation of the Spectroscopic Properties of a DNA‐Intercalator Salphen‐Type ZnII Complex
A Biancardi, A Burgalassi, A Terenzi, A Spinello, G Barone, T Biver, ...
Chemistry–A European Journal 20 (24), 7439-7447, 2014
Mandates: European Commission
Excited-state vibrations of solvated molecules: Going beyond the linear-response polarizable continuum model
B Mennucci, G Scalmani, D Jacquemin
Journal of Chemical Theory and Computation 11 (3), 847-850, 2015
Mandates: European Commission
Plasmon enhanced light harvesting: Multiscale modeling of the FMO protein coupled with gold nanoparticles
O Andreussi, S Caprasecca, L Cupellini, I Guarnetti-Prandi, CA Guido, ...
The Journal of Physical Chemistry A 119 (21), 5197-5206, 2015
Mandates: European Commission
Excitation energy transfer in donor-bridge-acceptor systems: A combined quantum-mechanical/classical analysis of the role of the bridge and the solvent
S Caprasecca, B Mennucci
The Journal of Physical Chemistry A 118 (33), 6484-6491, 2014
Mandates: European Commission
Quantum chemical modeling of the cardiolipin headgroup
M Dahlberg, A Marini, B Mennucci, A Maliniak
The Journal of Physical Chemistry A 114 (12), 4375-4387, 2010
Mandates: Swedish Research Council
Modeling excitation energy transfer in multi-BODIPY architectures
C Azarias, R Russo, L Cupellini, B Mennucci, D Jacquemin
Physical Chemistry Chemical Physics 19 (9), 6443-6453, 2017
Mandates: European Commission
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