Benedetta Mennucci

Scopus Author ID ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 96

Top Venues

The journal of physical chemistry letters

Journal of chemical theory and computation

Nature communications

The journal of physical chemistry. A

University of Pisa

University of Pisa (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of Pisa

Italy

Professor :: Dipartimento di Chimica e Chimica Industriale

Education History

University of Pisa

Italy

PHD :: Department of Chemistry

Publications

Giacomo Salvadori, Benedetta Mennucci
Analogies and Differences in the Photoactivation Mechanism of Bathy and Canonical Bacteriophytochromes Revealed by Multiscale Modeling. The journal of physical chemistry letters (2024)
Piermarco Saraceno, Samim Sardar, Roberto Caferri, Franco V A Camargo, Luca Dall'Osto, Cosimo D'Andrea, Roberto Bassi, Lorenzo Cupellini, Giulio Cerullo, Benedetta Mennucci
Probing the Effect of Mutations on Light Harvesting in CP29 by Transient Absorption and First-Principles Simulations. The journal of physical chemistry letters 15 (24) (2024)
Amanda Arcidiacono, Edoardo Cignoni, Patrizia Mazzeo, Lorenzo Cupellini, Benedetta Mennucci
Predicting Solvatochromism of Chromophores in Proteins through QM/MM and Machine Learning. The journal of physical chemistry. A 128 (18) (2024)
Davide Accomasso, Giacomo Londi, Lorenzo Cupellini, Benedetta Mennucci
The nature of carotenoid S* state and its role in the nonphotochemical quenching of plants. Nature communications 15 (1) (2024)
Elena Betti, Piermarco Saraceno, Edoardo Cignoni, Lorenzo Cupellini, Benedetta Mennucci
Insights into Energy Transfer in Light-Harvesting Complex II Through Machine-Learning Assisted Simulations. The journal of physical chemistry. B (2024)
Paul Victor Sauer, Lorenzo Cupellini, Markus Sutter, Mattia Bondanza, María Agustina Domínguez Martin, Cheryl A Kerfeld, David Bína, Adrian Fujiet Koh, Abhay Kotecha, Basil J Greber, Eva Nogales, Tomáš Polívka, Benedetta Mennucci, Cheryl A Kerfeld
Structural and quantum chemical basis for OCP-mediated quenching of phycobilisomes. Science advances 10 (14) (2024)
Amanda Arcidiacono, Edoardo Cignoni, Patrizia Mazzeo, Lorenzo Cupellini, Benedetta Mennucci
Predicting Solvatochromism of Chromophores in Proteins through QM/MM and Machine Learning. The journal of physical chemistry. A (2024)
Elena Betti, Piermarco Saraceno, Edoardo Cignoni, Lorenzo Cupellini, Benedetta Mennucci
Insights into Energy Transfer in Light-Harvesting Complex II Through Machine-Learning Assisted Simulations. The journal of physical chemistry. B 128 (21) (2024)
Piermarco Saraceno, Samim Sardar, Roberto Caferri, Franco V A Camargo, Luca Dall'Osto, Cosimo D'Andrea, Roberto Bassi, Lorenzo Cupellini, Giulio Cerullo, Benedetta Mennucci
Probing the Effect of Mutations on Light Harvesting in CP29 by Transient Absorption and First-Principles Simulations. The journal of physical chemistry letters 15 (24) (2024)
Davide Moscato, Giacomo Mandelli, Mattia Bondanza, Filippo Lipparini, Riccardo Conte, Benedetta Mennucci, Michele Ceotto
Unraveling Water Solvation Effects with Quantum Mechanics/Molecular Mechanics Semiclassical Vibrational Spectroscopy: The Case of Thymidine. Journal of the American Chemical Society (2024)
Davide Moscato, Giacomo Mandelli, Mattia Bondanza, Filippo Lipparini, Riccardo Conte, Benedetta Mennucci, Michele Ceotto
Unraveling Water Solvation Effects with Quantum Mechanics/Molecular Mechanics Semiclassical Vibrational Spectroscopy: The Case of Thymidine. Journal of the American Chemical Society 146 (12) (2024)
Paul Victor Sauer, Lorenzo Cupellini, Markus Sutter, Mattia Bondanza, María Agustina Domínguez Martin, Cheryl A Kerfeld, David Bína, Adrian Fujiet Koh, Abhay Kotecha, Basil J Greber, Eva Nogales, Tomáš Polívka, Benedetta Mennucci, Cheryl A Kerfeld
Structural and quantum chemical basis for OCP-mediated quenching of phycobilisomes. Science advances 10 (14) (2024)
Amanda Arcidiacono, Edoardo Cignoni, Patrizia Mazzeo, Lorenzo Cupellini, Benedetta Mennucci
Predicting Solvatochromism of Chromophores in Proteins through QM/MM and Machine Learning. The journal of physical chemistry. A 128 (18) (2024)
Paul Victor Sauer, Lorenzo Cupellini, Markus Sutter, Mattia Bondanza, María Agustina Domínguez Martin, Cheryl A Kerfeld, David Bína, Adrian Fujiet Koh, Abhay Kotecha, Basil J Greber, Eva Nogales, Tomáš Polívka, Benedetta Mennucci, Cheryl A Kerfeld
Structural and quantum chemical basis for OCP-mediated quenching of phycobilisomes. Science advances 10 (14) (2024)
Edoardo Cignoni, Divya Suman, Jigyasa Nigam, Lorenzo Cupellini, Benedetta Mennucci, Michele Ceriotti
Electronic Excited States from Physically Constrained Machine Learning. ACS central science 10 (3) (2024)
Amanda Arcidiacono, Edoardo Cignoni, Patrizia Mazzeo, Lorenzo Cupellini, Benedetta Mennucci
Predicting Solvatochromism of Chromophores in Proteins through QM/MM and Machine Learning. The journal of physical chemistry. A 128 (18) (2024)
Davide Accomasso, Giacomo Londi, Lorenzo Cupellini, Benedetta Mennucci
The nature of carotenoid S* state and its role in the nonphotochemical quenching of plants. Nature communications 15 (1) (2024)
Piermarco Saraceno, Samim Sardar, Roberto Caferri, Franco V A Camargo, Luca Dall'Osto, Cosimo D'Andrea, Roberto Bassi, Lorenzo Cupellini, Giulio Cerullo, Benedetta Mennucci
Probing the Effect of Mutations on Light Harvesting in CP29 by Transient Absorption and First-Principles Simulations. The journal of physical chemistry letters (2024)
Davide Accomasso, Giacomo Londi, Lorenzo Cupellini, Benedetta Mennucci
The nature of carotenoid S* state and its role in the nonphotochemical quenching of plants. Nature communications 15 (1) (2024)
Paul Victor Sauer, Lorenzo Cupellini, Markus Sutter, Mattia Bondanza, María Agustina Domínguez Martin, Cheryl A Kerfeld, David Bína, Adrian Fujiet Koh, Abhay Kotecha, Basil J Greber, Eva Nogales, Tomáš Polívka, Benedetta Mennucci, Cheryl A Kerfeld
Structural and quantum chemical basis for OCP-mediated quenching of phycobilisomes. Science advances 10 (14) (2024)
Davide Accomasso, Giacomo Londi, Lorenzo Cupellini, Benedetta Mennucci
The nature of carotenoid S* state and its role in the nonphotochemical quenching of plants. Nature communications 15 (1) (2024)
Davide Accomasso, Giacomo Londi, Lorenzo Cupellini, Benedetta Mennucci
The nature of carotenoid S* state and its role in the nonphotochemical quenching of plants. Nature communications 15 (1) (2024)
Edoardo Cignoni, Divya Suman, Jigyasa Nigam, Lorenzo Cupellini, Benedetta Mennucci, Michele Ceriotti
Electronic Excited States from Physically Constrained Machine Learning. ACS central science 10 (3) (2024)
Giacomo Salvadori, Benedetta Mennucci
Analogies and Differences in the Photoactivation Mechanism of Bathy and Canonical Bacteriophytochromes Revealed by Multiscale Modeling. The journal of physical chemistry letters 15 (31) (2024)
Edoardo Cignoni, Lorenzo Cupellini, Benedetta Mennucci
Machine Learning Exciton Hamiltonians in Light-Harvesting Complexes. Journal of chemical theory and computation 19 (3) (2023)
Shaima Hashem, Giovanni Battista Alteri, Lorenzo Cupellini, Benedetta Mennucci
Integrated Computational Study of the Light-Activated Structure of the AppA BLUF Domain and Its Spectral Signatures. The journal of physical chemistry. A (2023)
Edoardo Cignoni, Lorenzo Cupellini, Benedetta Mennucci
Machine Learning Exciton Hamiltonians in Light-Harvesting Complexes. Journal of chemical theory and computation 19 (3) (2023)
Manoop Chenchiliyan, Joachim Kübel, Saik Ann Ooi, Giacomo Salvadori, Benedetta Mennucci, Sebastian Westenhoff, Michal Maj
Ground-state heterogeneity and vibrational energy redistribution in bacterial phytochrome observed with femtosecond 2D IR spectroscopy. The Journal of chemical physics 158 (8) (2023)
Laura Pedraza-González, Davide Accomasso, Lorenzo Cupellini, Giovanni Granucci, Benedetta Mennucci
Ultrafast excited-state dynamics of Luteins in the major light-harvesting complex LHCII. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 23 (2) (2023)
Patrizia Mazzeo, Shaima Hashem, Filippo Lipparini, Lorenzo Cupellini, Benedetta Mennucci
Fast Method for Excited-State Dynamics in Complex Systems and Its Application to the Photoactivation of a Blue Light Using Flavin Photoreceptor. The journal of physical chemistry letters 14 (5) (2023)
Laura Pedraza-González, Davide Accomasso, Lorenzo Cupellini, Giovanni Granucci, Benedetta Mennucci
Ultrafast excited-state dynamics of Luteins in the major light-harvesting complex LHCII. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology (2023)
Patrizia Mazzeo, Shaima Hashem, Filippo Lipparini, Lorenzo Cupellini, Benedetta Mennucci
Fast Method for Excited-State Dynamics in Complex Systems and Its Application to the Photoactivation of a Blue Light Using Flavin Photoreceptor. The journal of physical chemistry letters 14 (5) (2023)
Patrizia Mazzeo, Shaima Hashem, Filippo Lipparini, Lorenzo Cupellini, Benedetta Mennucci
Fast Method for Excited-State Dynamics in Complex Systems and Its Application to the Photoactivation of a Blue Light Using Flavin Photoreceptor. The journal of physical chemistry letters 14 (5) (2023)
Vladislav Sláma, Lorenzo Cupellini, Vincenzo Mascoli, Nicoletta Liguori, Roberta Croce, Benedetta Mennucci
Origin of Low-Lying Red States in the Lhca4 Light-Harvesting Complex of Photosystem I. The journal of physical chemistry letters (2023)
Patrizia Mazzeo, Shaima Hashem, Filippo Lipparini, Lorenzo Cupellini, Benedetta Mennucci
Fast Method for Excited-State Dynamics in Complex Systems and Its Application to the Photoactivation of a Blue Light Using Flavin Photoreceptor. The journal of physical chemistry letters 14 (5) (2023)
Patrizia Mazzeo, Shaima Hashem, Filippo Lipparini, Lorenzo Cupellini, Benedetta Mennucci
Fast Method for Excited-State Dynamics in Complex Systems and Its Application to the Photoactivation of a Blue Light Using Flavin Photoreceptor. The journal of physical chemistry letters (2023)
Laura Pedraza-González, Edoardo Cignoni, Jacopo D'Ascenzi, Lorenzo Cupellini, Benedetta Mennucci
How the pH Controls Photoprotection in the Light-Harvesting Complex of Mosses. Journal of the American Chemical Society (2023)
Edoardo Cignoni, Lorenzo Cupellini, Benedetta Mennucci
Machine Learning Exciton Hamiltonians in Light-Harvesting Complexes. Journal of chemical theory and computation (2023)
Amanda Arcidiacono, Davide Accomasso, Lorenzo Cupellini, Benedetta Mennucci
How orange carotenoid protein controls the excited state dynamics of canthaxanthin. Chemical science 14 (40) (2023)
Edoardo Cignoni, Lorenzo Cupellini, Benedetta Mennucci
Machine Learning Exciton Hamiltonians in Light-Harvesting Complexes. Journal of chemical theory and computation 19 (3) (2023)
Davide Accomasso, Serra Arslancan, Lorenzo Cupellini, Giovanni Granucci, Benedetta Mennucci
Ultrafast Excited-State Dynamics of Carotenoids and the Role of the S X State. The journal of physical chemistry letters (2022)
Vladislav Sláma, Lorenzo Cupellini, Benedetta Mennucci
Excitonic Nature of Carotenoid-Phthalocyanine Dyads and Its Role in Transient Absorption Spectra. ACS Physical Chemistry Au 2 (3) (2022)
Ingrid Guarnetti Prandi, Vladislav Sláma, Cristina Pecorilla, Lorenzo Cupellini, Benedetta Mennucci
Structure of the stress-related LHCSR1 complex determined by an integrated computational strategy. Communications biology 5 (1) (2022)
Giacomo Salvadori, Veronica Macaluso, Giulia Pellicci, Lorenzo Cupellini, Giovanni Granucci, Benedetta Mennucci
Protein control of photochemistry and transient intermediates in phytochromes. Nature communications 13 (1) (2022)
Mario Barbatti, Mattia Bondanza, Rachel Crespo-Otero, Baptiste Demoulin, Pavlo O Dral, Giovanni Granucci, Fábris Kossoski, Hans Lischka, Benedetta Mennucci, Saikat Mukherjee, Marek Pederzoli, Maurizio Persico, Max Pinheiro, Jiří Pittner, Felix Plasser, Eduarda Sangiogo Gil, Ljiljana Stojanović
Newton-X Platform: New Software Developments for Surface Hopping and Nuclear Ensembles. Journal of chemical theory and computation 18 (11) (2022)
Geethanjali Gopakumar, Eva Muchová, Isaak Unger, Sebastian Malerz, Florian Trinter, Gunnar Öhrwall, Filippo Lipparini, Benedetta Mennucci, Denis Céolin, Carl Caleman, Iain Wilkinson, Bernd Winter, Petr Slavíček, Uwe Hergerhahn, Olle Björneholm
Probing aqueous ions with non-local Auger relaxation. Physical chemistry chemical physics : PCCP 24 (15) (2022)
Edoardo Cignoni, Lorenzo Cupellini, Benedetta Mennucci
A fast method for electronic couplings in embedded multichromophoric systems. Journal of physics. Condensed matter : an Institute of Physics journal 34 (30) (2022)
Mattia Bondanza, Baptiste Demoulin, Filippo Lipparini, Mario Barbatti, Benedetta Mennucci
Trajectory Surface Hopping for a Polarizable Embedding QM/MM Formulation. The journal of physical chemistry. A 126 (38) (2022)
Mattia Bondanza, Denis Jacquemin, Benedetta Mennucci
Excited States of Xanthophylls Revisited: Toward the Simulation of Biologically Relevant Systems. The journal of physical chemistry letters 12 (28) (2021)
Vincenzo Mascoli, Nicoletta Liguori, Lorenzo Cupellini, Eduard Elias, Benedetta Mennucci, Roberta Croce
Uncovering the interactions driving carotenoid binding in light-harvesting complexes. Chemical science 12 (14) (2021)
Veronica Macaluso, Shaima Hashem, Michele Nottoli, Filippo Lipparini, Lorenzo Cupellini, Benedetta Mennucci
Ultrafast Transient Infrared Spectroscopy of Photoreceptors with Polarizable QM/MM Dynamics. The journal of physical chemistry. B 125 (36) (2021)
Felipe Cardoso Ramos, Lorenzo Cupellini, Benedetta Mennucci
Computational Investigation of Structural and Spectroscopic Properties of LOV-Based Proteins with Improved Fluorescence. The journal of physical chemistry. B 125 (7) (2021)
Veronica Macaluso, Giacomo Salvadori, Lorenzo Cupellini, Benedetta Mennucci
The structural changes in the signaling mechanism of bacteriophytochromes in solution revealed by a multiscale computational investigation. Chemical science 12 (15) (2021)
Shaima Hashem, Veronica Macaluso, Michele Nottoli, Filippo Lipparini, Lorenzo Cupellini, Benedetta Mennucci
From crystallographic data to the solution structure of photoreceptors: the case of the AppA BLUF domain. Chemical science 12 (40) (2021)
Edoardo Cignoni, Margherita Lapillo, Lorenzo Cupellini, Silvia Acosta-Gutiérrez, Francesco Luigi Gervasio, Benedetta Mennucci
A different perspective for nonphotochemical quenching in plant antenna complexes. Nature communications 12 (1) (2021)
Michele Nottoli, Mattia Bondanza, Filippo Lipparini, Benedetta Mennucci
An enhanced sampling QM/AMOEBA approach: The case of the excited state intramolecular proton transfer in solvated 3-hydroxyflavone. The Journal of chemical physics 154 (18) (2021)
Michele Nottoli, Riccardo Nifosì, Benedetta Mennucci, Filippo Lipparini
Energy, Structures, and Response Properties with a Fully Coupled QM/AMOEBA/ddCOSMO Implementation. Journal of chemical theory and computation 17 (9) (2021)
Ciro Achille Guido, Amara Chrayteh, Giovanni Scalmani, Benedetta Mennucci, Denis Jacquemin
Simple Protocol for Capturing Both Linear-Response and State-Specific Effects in Excited-State Calculations with Continuum Solvation Models. Journal of chemical theory and computation 17 (8) (2021)
Veronica Macaluso, Lorenzo Cupellini, Giacomo Salvadori, Filippo Lipparini, Benedetta Mennucci
Elucidating the role of structural fluctuations, and intermolecular and vibronic interactions in the spectroscopic response of a bacteriophytochrome. Physical chemistry chemical physics : PCCP 22 (16) (2020)
Lorenzo Cupellini, Dario Calvani, Denis Jacquemin, Benedetta Mennucci
Charge transfer from the carotenoid can quench chlorophyll excitation in antenna complexes of plants. Nature communications 11 (1) (2020)
George C Schatz, Anne B McCoy, Joan-Emma Shea, Catherine Jones Murphy, Gregory D Scholes, Victor S Batista, Kankan Bhattacharyya, Juan Bisquert, T Daniel Crawford, Tanja Cuk, Robert M Dickson, D Howard Fairbrother, Maria Forsyth, John T Fourkas, Franz M Geiger, Andrew A Gewirth, Theodore Goodson Iii, Gillian R Goward, Hua Guo, Gregory V Hartland, Pavel Jungwirth, Stephan Link, Gang-Yu Liu, Zhi-Pan Liu, Benedetta Mennucci, Timothy K Minton, Amy S Mullin, Oleg V Prezhdo, William F Schneider, Benjamin J Schwartz, Neil Snider, Gemma C Solomon, Eric Weitz, Xueming Yang, Arun Yethiraj, Francisco Zaera, Martin T Zanni, Jin Zhong Zhang, Hai-Zheng Zhong, Timothy S Zwier
The JPC Periodic Table. The journal of physical chemistry. B 123 (28) (2020)
Johannes Tölle, Lorenzo Cupellini, Benedetta Mennucci, Johannes Neugebauer
Electronic couplings for photo-induced processes from subsystem time-dependent density-functional theory: The role of the diabatization. The Journal of chemical physics 153 (18) (2020)
Michele Nottoli, Benedetta Mennucci, Filippo Lipparini
Excited state Born-Oppenheimer molecular dynamics through coupling between time dependent DFT and AMOEBA. Physical chemistry chemical physics : PCCP 22 (35) (2020)
Mattia Bondanza, Lorenzo Cupellini, Pietro Faccioli, Benedetta Mennucci
Molecular Mechanisms of Activation in the Orange Carotenoid Protein Revealed by Molecular Dynamics. Journal of the American Chemical Society 142 (52) (2020)
Mattia Bondanza, Michele Nottoli, Lorenzo Cupellini, Filippo Lipparini, Benedetta Mennucci
Polarizable embedding QM/MM: the future gold standard for complex (bio)systems? Physical chemistry chemical physics : PCCP 22 (26) (2020)
George C Schatz, Anne B McCoy, Joan-Emma Shea, Catherine Jones Murphy, Gregory D Scholes, Victor S Batista, Kankan Bhattacharyya, Juan Bisquert, T Daniel Crawford, Tanja Cuk, Robert M Dickson, D Howard Fairbrother, Maria Forsyth, John T Fourkas, Franz M Geiger, Andrew A Gewirth, Theodore Goodson Iii, Gillian R Goward, Hua Guo, Gregory V Hartland, Pavel Jungwirth, Stephan Link, Gang-Yu Liu, Zhi-Pan Liu, Benedetta Mennucci, Timothy K Minton, Amy S Mullin, Oleg V Prezhdo, William F Schneider, Benjamin J Schwartz, Neil Snider, Gemma C Solomon, Eric Weitz, Xueming Yang, Arun Yethiraj, Francisco Zaera, Martin T Zanni, Jin Zhong Zhang, Hai-Zheng Zhong, Timothy S Zwier
The JPC Periodic Table. The journal of physical chemistry. A 123 (28) (2019)
Veronica Iuliano, Carmen Talotta, Carmine Gaeta, Annunziata Soriente, Margherita De Rosa, Silvano Geremia, Neal Hickey, Benedetta Mennucci, Placido Neri
Negative Solvatochromism in a N-Linked p-Pyridiniumcalix[4]arene Derivative. Organic letters 21 (8) (2019)
Sabriye Aydinoglu, Andrea Pasti, Tarita Biver, Benedetta Mennucci
Auramine O interaction with DNA: a combined spectroscopic and TD-DFT analysis. Physical chemistry chemical physics : PCCP 21 (37) (2019)
Hongbin Liu, Andrew J Jenkins, Andrew Wildman, Michael J Frisch, Filippo Lipparini, Benedetta Mennucci, Xiaosong Li
Time-Dependent Complete Active Space Embedded in a Polarizable Force Field. Journal of chemical theory and computation 15 (3) (2019)
Francesco Segatta, Lorenzo Cupellini, Marco Garavelli, Benedetta Mennucci
Quantum Chemical Modeling of the Photoinduced Activity of Multichromophoric Biosystems. Chemical reviews 119 (16) (2019)
Sijin Ren, Filippo Lipparini, Benedetta Mennucci, Marco Caricato
Coupled Cluster Theory with Induced Dipole Polarizable Embedding for Ground and Excited States. Journal of chemical theory and computation 15 (8) (2019)
Riccardo Nifosì, Benedetta Mennucci, Claudia Filippi
The key to the yellow-to-cyan tuning in the green fluorescent protein family is polarisation. Physical chemistry chemical physics : PCCP 21 (35) (2019)
Felipe Cardoso Ramos, Michele Nottoli, Lorenzo Cupellini, Benedetta Mennucci
The molecular mechanisms of light adaption in light-harvesting complexes of purple bacteria revealed by a multiscale modeling. Chemical science 10 (42) (2019)
Daniele Loco, Louis Lagardère, Gerardo Andrés Cisneros, Giovanni Scalmani, Michael Frisch, Filippo Lipparini, Benedetta Mennucci, Jean-Philip Piquemal
Towards large scale hybrid QM/MM dynamics of complex systems with advanced point dipole polarizable embeddings. Chemical science 10 (30) (2019)
Ciro Achille Guido, Benedetta Mennucci, Giovanni Scalmani, Denis Jacquemin
Excited State Dipole Moments in Solution: Comparison between State-Specific and Linear-Response TD-DFT Values. Journal of chemical theory and computation 14 (3) (2018)
Takafumi Shiraogawa, Masahiro Ehara, Sandro Jurinovich, Lorenzo Cupellini, Benedetta Mennucci
Frenkel-exciton decomposition analysis of circular dichroism and circularly polarized luminescence for multichromophoric systems. Journal of computational chemistry 39 (16) (2018)
Daniele Loco, Francesco Buda, Johan Lugtenburg, Benedetta Mennucci
The Dynamic Origin of Color Tuning in Proteins Revealed by a Carotenoid Pigment. The journal of physical chemistry letters 9 (9) (2018)
Maximilian F S J Menger, Felix Plasser, Benedetta Mennucci, Leticia González
Surface Hopping within an Exciton Picture. An Electrostatic Embedding Scheme. Journal of chemical theory and computation 14 (12) (2018)
Daniele Loco, Sandro Jurinovich, Lorenzo Cupellini, Maximilian F S J Menger, Benedetta Mennucci
The modeling of the absorption lineshape for embedded molecules through a polarizable QM/MM approach. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 17 (5) (2018)
Elena Meneghin, Andrea Volpato, Lorenzo Cupellini, Luca Bolzonello, Sandro Jurinovich, Vincenzo Mascoli, Donatella Carbonera, Benedetta Mennucci, Elisabetta Collini
Coherence in carotenoid-to-chlorophyll energy transfer. Nature communications 9 (1) (2018)
Lorenzo Cupellini, Stefano Caprasecca, Ciro Achille Guido, Frank Müh, Thomas Renger, Benedetta Mennucci
Coupling to Charge Transfer States is the Key to Modulate the Optical Bands for Efficient Light Harvesting in Purple Bacteria. The journal of physical chemistry letters 9 (23) (2018)
Stefano Caprasecca, Stefano Corni, Benedetta Mennucci
Shaping excitons in light-harvesting proteins through nanoplasmonics. Chemical science 9 (29) (2018)
Ciro Achille Guido, Giovanni Scalmani, Benedetta Mennucci, Denis Jacquemin
Excited state gradients for a state-specific continuum solvation approach: The vertical excitation model within a Lagrangian TDDFT formulation. The Journal of chemical physics 146 (20) (2018)
Carles Curutchet, Lorenzo Cupellini, Jacob Kongsted, Stefano Corni, Luca Frediani, Arnfinn Hykkerud Steindal, Ciro A Guido, Giovanni Scalmani, Benedetta Mennucci
Density-Dependent Formulation of Dispersion-Repulsion Interactions in Hybrid Multiscale Quantum/Molecular Mechanics (QM/MM) Models. Journal of chemical theory and computation 14 (3) (2018)
Alan Ianeselli, Simone Orioli, Giovanni Spagnolli, Pietro Faccioli, Lorenzo Cupellini, Sandro Jurinovich, Benedetta Mennucci
Atomic Detail of Protein Folding Revealed by an Ab Initio Reappraisal of Circular Dichroism. Journal of the American Chemical Society 140 (10) (2018)
Andrew Wildman, Greta Donati, Filippo Lipparini, Benedetta Mennucci, Xiaosong Li
Nonequilibrium Environment Dynamics in a Frequency-Dependent Polarizable Embedding Model. Journal of chemical theory and computation 15 (1) (2018)
Michele Nottoli, Sandro Jurinovich, Lorenzo Cupellini, Alastair T Gardiner, Richard Cogdell, Benedetta Mennucci
The role of charge-transfer states in the spectral tuning of antenna complexes of purple bacteria. Photosynthesis research 137 (2) (2018)
Francesco Segatta, Lorenzo Cupellini, Sandro Jurinovich, Shaul Mukamel, Maurizio Dapor, Simone Taioli, Marco Garavelli, Benedetta Mennucci
A Quantum Chemical Interpretation of Two-Dimensional Electronic Spectroscopy of Light-Harvesting Complexes. Journal of the American Chemical Society 139 (22) (2017)
Daniele Loco, Louis Lagardère, Stefano Caprasecca, Filippo Lipparini, Benedetta Mennucci, Jean-Philip Piquemal
Hybrid QM/MM Molecular Dynamics with AMOEBA Polarizable Embedding. Journal of chemical theory and computation 13 (9) (2017)
Daniele Loco, Natalia Gelfand, Sandro Jurinovich, Stefano Protti, Alberto Mezzetti, Benedetta Mennucci
Polarizable QM/Classical Approaches for the Modeling of Solvation Effects on UV-Vis and Fluorescence Spectra: An Integrated Strategy. The journal of physical chemistry. A 122 (1) (2017)
Vytautas Balevičius, Kieran F Fox, William P Bricker, Sandro Jurinovich, Ingrid G Prandi, Benedetta Mennucci, Christopher D P Duffy
Fine control of chlorophyll-carotenoid interactions defines the functionality of light-harvesting proteins in plants. Scientific reports 7 (1) (2017)
Greta Donati, Andrew Wildman, Stefano Caprasecca, David B Lingerfelt, Filippo Lipparini, Benedetta Mennucci, Xiaosong Li
Coupling Real-Time Time-Dependent Density Functional Theory with Polarizable Force Field. The journal of physical chemistry letters 8 (21) (2017)
Robert J Mayer, Takahiro Tokuyasu, Peter Mayer, Jérôme Gomar, Stéphane Sabelle, Benedetta Mennucci, Herbert Mayr, Armin R Ofial
Solvation Accounts for the Counterintuitive Nucleophilicity Ordering of Peroxide Anions. Angewandte Chemie (International ed. in English) 56 (43) (2017)
Maximilian F S J Menger, Stefano Caprasecca, Benedetta Mennucci
Excited-State Gradients in Polarizable QM/MM Models: An Induced Dipole Formulation. Journal of chemical theory and computation 13 (8) (2017)
Oliviero Andreussi, Ingrid G Prandi, Marco Campetella, Giacomo Prampolini, Benedetta Mennucci
Classical Force Fields Tailored for QM Applications: Is It Really a Feasible Strategy? Journal of chemical theory and computation 13 (10) (2017)
Daniele Padula, Sandro Jurinovich, Lorenzo Di Bari, Benedetta Mennucci
Simulation of Electronic Circular Dichroism of Nucleic Acids: From the Structure to the Spectrum. Chemistry (Weinheim an der Bergstrasse, Germany) 22 (47) (2016)

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Publication Activity (10 Years)

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Benedetta Mennucci