Giacomo Prampolini

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 31

Top Venues

Journal of chemical theory and computation

Physical chemistry chemical physics : PCCP

Molecules (Basel, Switzerland)

The journal of physical chemistry letters

Istituto di chimica dei composti organo metallici - Sezione di Pisa

Università degli Studi di Pisa (PHD)

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

Affiliation History

Istituto di chimica dei composti organo metallici - Sezione di Pisa Jan 07 2013

Italy

ricercatore :: ICCOM

Education History

Università degli Studi di Pisa Jan 01 2001 - Mar 05 2005

Italy

PHD :: Dipartimento di Chimica e Chimica Industriale

Publications

Angela Dellai, Carmelo Naim, Javier Cerezo, Giacomo Prampolini, Frédéric Castet
Dynamic effects on the nonlinear optical properties of donor acceptor stenhouse adducts: insights from combined MD + QM simulations. Physical chemistry chemical physics : PCCP (2024)
Angela Dellai, Carmelo Naim, Javier Cerezo, Giacomo Prampolini, Frédéric Castet
Dynamic effects on the nonlinear optical properties of donor acceptor stenhouse adducts: insights from combined MD + QM simulations. Physical chemistry chemical physics : PCCP 26 (18) (2024)
Raúl Losantos, Giacomo Prampolini, Antonio Monari
A Portrait of the Chromophore as a Young System-Quantum-Derived Force Field Unraveling Solvent Reorganization upon Optical Excitation of Cyclocurcumin Derivatives. Molecules (Basel, Switzerland) 29 (8) (2024)
Javier Cerezo, Johannes Gierschner, Fabrizio Santoro, Giacomo Prampolini
Explicit Modelling of Spectral Bandshapes by a Mixed Quantum-Classical Approach: Solvent Order and Temperature Effects in the Optical Spectra of Distyrylbenzene. Chemphyschem : a European journal of chemical physics and physical chemistry 25 (16) (2024)
Raúl Losantos, Giacomo Prampolini, Antonio Monari
A Portrait of the Chromophore as a Young System-Quantum-Derived Force Field Unraveling Solvent Reorganization upon Optical Excitation of Cyclocurcumin Derivatives. Molecules (Basel, Switzerland) 29 (8) (2024)
Javier Cerezo, Johannes Gierschner, Fabrizio Santoro, Giacomo Prampolini
Explicit Modelling of Spectral Bandshapes by a Mixed Quantum-Classical Approach: Solvent Order and Temperature Effects in the Optical Spectra of Distyrylbenzene. Chemphyschem : a European journal of chemical physics and physical chemistry (2024)
Javier Cerezo, Cristina Garcı A-Iriepa, Fabrizio Santoro, Isabelle Navizet, Giacomo Prampolini
Unraveling the contributions to the spectral shape of flexible dyes in solution: insights on the absorption spectrum of an oxyluciferin analogue. Physical chemistry chemical physics : PCCP (2023)
Javier Cerezo, Sheng Gao, Nicola Armaroli, Francesca Ingrosso, Giacomo Prampolini, Fabrizio Santoro, Barbara Ventura, Mariachiara Pastore
Non-Phenomenological Description of the Time-Resolved Emission in Solution with Quantum-Classical Vibronic Approaches-Application to Coumarin C153 in Methanol. Molecules (Basel, Switzerland) 28 (9) (2023)
Giacomo Prampolini, Marco Campetella, Alessandro Ferretti
Solvent effects on catechol's binding affinity: investigating the role of the intra-molecular hydrogen bond through a multi-level computational approach. Physical chemistry chemical physics : PCCP 25 (3) (2023)
Giacomo Prampolini, Marco Campetella, Alessandro Ferretti
Solvent effects on catechol's binding affinity: investigating the role of the intra-molecular hydrogen bond through a multi-level computational approach. Physical chemistry chemical physics : PCCP 25 (3) (2023)
Javier Cerezo, Sheng Gao, Nicola Armaroli, Francesca Ingrosso, Giacomo Prampolini, Fabrizio Santoro, Barbara Ventura, Mariachiara Pastore
Non-Phenomenological Description of the Time-Resolved Emission in Solution with Quantum-Classical Vibronic Approaches-Application to Coumarin C153 in Methanol. Molecules (Basel, Switzerland) 28 (9) (2023)
Giacomo Prampolini, Marco Campetella, Alessandro Ferretti
Solvent effects on catechol's binding affinity: investigating the role of the intra-molecular hydrogen bond through a multi-level computational approach. Physical chemistry chemical physics : PCCP (2023)
Giacomo Prampolini, Marco Campetella, Alessandro Ferretti
Solvent effects on catechol's binding affinity: investigating the role of the intra-molecular hydrogen bond through a multi-level computational approach. Physical chemistry chemical physics : PCCP 25 (3) (2023)
Javier Cerezo, Cristina Garcı A-Iriepa, Fabrizio Santoro, Isabelle Navizet, Giacomo Prampolini
Unraveling the contributions to the spectral shape of flexible dyes in solution: insights on the absorption spectrum of an oxyluciferin analogue. Physical chemistry chemical physics : PCCP 25 (6) (2023)
Giacomo Prampolini, Amity Andersen, Benjamin I Poulter, Munira Khalil, Niranjan Govind, Elisa Biasin, Mariachiara Pastore
Integrated Quantum-Classical Protocol for the Realistic Description of Solvated Multinuclear Mixed-Valence Transition-Metal Complexes and Their Solvatochromic Properties. Journal of chemical theory and computation (2023)
Alessandro Ferretti, Giacomo Prampolini
Complexes of Alkaline and Ammonium Cations with Dopamine and Eumelanin Precursors: Dissecting the Role of Noncovalent Cation-π and Cation-Lone Pair (σ-Type) Interactions. The journal of physical chemistry. A 126 (15) (2022)
Leandro Greff da Silveira, Paolo Roberto Livotto, Daniele Padula, Guilherme Vilhena, Giacomo Prampolini
Accurate Quantum-Mechanically Derived Force-Fields through a Fragment-Based Approach: Balancing Specificity and Transferability in the Prediction of Self-Assembly in Soft Matter. Journal of chemical theory and computation 18 (11) (2022)
Alekos Segalina, Daniel Aranda Ruiz, James A Green, Vito Cristino, Stefano Caramori, Giacomo Prampolini, Mariachiara Pastore, Fabrizio Santoro
How the Interplay among Conformational Disorder, Solvation, Local, and Charge-Transfer Excitations Affects the Absorption Spectrum and Photoinduced Dynamics of Perylene Diimide Dimers: A Molecular Dynamics/Quantum Vibronic Approach. Journal of chemical theory and computation 18 (6) (2022)
Guilherme Vilhena, Leandro Greff da Silveira, Paolo Roberto Livotto, Ivo Cacelli, Giacomo Prampolini
Automated Parameterization of Quantum Mechanically Derived Force Fields for Soft Materials and Complex Fluids: Development and Validation. Journal of chemical theory and computation 17 (7) (2021)
Giacomo Prampolini, Leandro Greff da Silveira, Guilherme Vilhena, Paolo Roberto Livotto
Predicting Spontaneous Orientational Self-Assembly: In Silico Design of Materials with Quantum Mechanically Derived Force Fields. The journal of physical chemistry letters 13 (1) (2021)
Camilla Calabrese, Berhane Temelso, Imanol Usabiaga, Nathan A Seifert, Francisco J Basterretxea, Giacomo Prampolini, George C Shields, Brooks H Pate, Luca Evangelisti, Emilio J Cocinero
The Role of Non-Covalent Interactions on Cluster Formation: Pentamer, Hexamers and Heptamer of Difluoromethane. Angewandte Chemie (International ed. in English) 60 (31) (2021)
Alessandro Ferretti, Marco d'Ischia, Giacomo Prampolini
Benchmarking Cation-π Interactions: Assessment of Density Functional Theory and Möller-Plesset Second-Order Perturbation Theory Calculations with Optimized Basis Sets (mp2mod) for Complexes of Benzene, Phenol, and Catechol with Na+, K+, Rb+, and Cs. The journal of physical chemistry. A 124 (17) (2020)
Javier Cerezo, Daniel Aranda Ruiz, Francisco José Avila Ferrer, Giacomo Prampolini, Fabrizio Santoro
Adiabatic-Molecular Dynamics Generalized Vertical Hessian Approach: A Mixed Quantum Classical Method To Compute Electronic Spectra of Flexible Molecules in the Condensed Phase. Journal of chemical theory and computation 16 (2) (2020)
Alekos Segalina, Javier Cerezo, Giacomo Prampolini, Fabrizio Santoro, Mariachiara Pastore
Accounting for Vibronic Features through a Mixed Quantum-Classical Scheme: Structure, Dynamics, and Absorption Spectra of a Perylene Diimide Dye in Solution. Journal of chemical theory and computation 16 (11) (2020)
Rémy Pawlak, Guilherme Vilhena, Philipp D'Astolfo, Xunshan Liu, Giacomo Prampolini, Tobias Meier, Thilo Glatzel, Justin A Lemkul, Robert Häner, Silvio Decurtins, Alexis Baratoff, Rubén Pérez, Shi-Xia Liu, Ernst Meyer
Sequential Bending and Twisting around C-C Single Bonds by Mechanical Lifting of a Pre-Adsorbed Polymer. Nano letters 20 (1) (2019)
Giacomo Prampolini, Francesca Ingrosso, Javier Cerezo, Alessandro Iagatti, Paolo Foggi, Mariachiara Pastore
Short- and Long-Range Solvation Effects on the Transient UV-Vis Absorption Spectra of a Ru(II)-Polypyridine Complex Disentangled by Nonequilibrium Molecular Dynamics. The journal of physical chemistry letters 10 (11) (2019)
Javier Cerezo, Daniel Aranda Ruiz, Francisco José Avila Ferrer, Giacomo Prampolini, Giuseppe Mazzeo, Giovanna Longhi, Sergio Abbate, Fabrizio Santoro
Toward a general mixed quantum/classical method for the calculation of the vibronic ECD of a flexible dye molecule with different stable conformers: Revisiting the case of 2,2,2-trifluoro-anthrylethanol. Chirality 30 (6) (2018)
Giacomo Prampolini, Francesca Ingrosso, Alekos Segalina, Stefano Caramori, Paolo Foggi, Mariachiara Pastore
Dynamical and Environmental Effects on the Optical Properties of an Heteroleptic Ru(II)-Polypyridine Complex: A Multilevel Approach Combining Accurate Ground and Excited State QM-Derived Force Fields, MD and TD-DFT. Journal of chemical theory and computation 15 (1) (2018)
Leandro Greff da Silveira, Matheus Jacobs, Giacomo Prampolini, Paolo Roberto Livotto, Ivo Cacelli
Development and Validation of Quantum Mechanically Derived Force-Fields: Thermodynamic, Structural, and Vibrational Properties of Aromatic Heterocycles. Journal of chemical theory and computation 14 (9) (2018)
Matheus Jacobs, Leandro Greff Da Silveira, Giacomo Prampolini, Paolo Roberto Livotto, Ivo Cacelli
Interaction Energy Landscapes of Aromatic Heterocycles through a Reliable yet Affordable Computational Approach. Journal of chemical theory and computation 14 (2) (2018)
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)

Giacomo Prampolini.css-eqlu8i{font-size:small;padding-left:4px;}

Publication Activity (10 Years)

Top Topics

Top Venues

Giacomo Prampolini