Giordano Mancini (G Mancini)

ORCID

Publication Activity (10 Years)

Years Active: 2018-2023
Publications (10 Years): 19

Top Venues

Journal of chemical theory and computation

The Journal of chemical physics

Journal of computational chemistry

ACS omega

Università degli Studi di Roma La Sapienza Dipartimento di Chimica (PHD)

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

Education History

Università degli Studi di Roma La Sapienza Dipartimento di Chimica Nov 01 2004 - Dec 01 2007

Italy

PHD

Publications

Vincenzo Barone, Marco Fusè, Federico Lazzari, Giordano Mancini
Benchmark Structures and Conformational Landscapes of Amino Acids in the Gas Phase: A Joint Venture of Machine Learning, Quantum Chemistry, and Rotational Spectroscopy. Journal of chemical theory and computation (2023)
Vincenzo Barone, Marco Fusè, Federico Lazzari, Giordano Mancini
Benchmark Structures and Conformational Landscapes of Amino Acids in the Gas Phase: A Joint Venture of Machine Learning, Quantum Chemistry, and Rotational Spectroscopy. Journal of chemical theory and computation 19 (4) (2023)
Vincenzo Barone, M Fusè, R Aguado, Simone Potenti, I León, Elena R Alonso, Santiago Mata, Federico Lazzari, Giordano Mancini, Lorenzo Spada, Andrea Gualandi, Pier Giorgio Cozzi, Cristina Puzzarini, José Luis Alonso
Bringing Machine-Learning Enhanced Quantum Chemistry and Microwave Spectroscopy to Conformational Landscape Exploration: the Paradigmatic Case of 4-Fluoro-Threonine. Chemistry (Weinheim an der Bergstrasse, Germany) (2023)
Vincenzo Barone, Marco Fusè, Federico Lazzari, Giordano Mancini
Benchmark Structures and Conformational Landscapes of Amino Acids in the Gas Phase: A Joint Venture of Machine Learning, Quantum Chemistry, and Rotational Spectroscopy. Journal of chemical theory and computation 19 (4) (2023)
Vincenzo Barone, Marco Fusè, Federico Lazzari, Giordano Mancini
Benchmark Structures and Conformational Landscapes of Amino Acids in the Gas Phase: A Joint Venture of Machine Learning, Quantum Chemistry, and Rotational Spectroscopy. Journal of chemical theory and computation 19 (4) (2023)
Vincenzo Barone, Ivan Carnimeo, Giordano Mancini, Marco Pagliai
Development, Validation, and Pilot Application of a Generalized Fluctuating Charge Model for Computational Spectroscopy in Solution. ACS omega 7 (15) (2022)
Emanuele Falbo, Marco Fusè, Federico Lazzari, Giordano Mancini, Vincenzo Barone
Integration of Quantum Chemistry, Statistical Mechanics, and Artificial Intelligence for Computational Spectroscopy: The UV-Vis Spectrum of TEMPO Radical in Different Solvents. Journal of chemical theory and computation 18 (10) (2022)
Andrea Catte, Akash Deep Biswas, Giordano Mancini, Vincenzo Barone
L-DOPA and Droxidopa: From Force Field Development to Molecular Docking into Human β 2 -Adrenergic Receptor. Life (Basel, Switzerland) 12 (9) (2022)
Iker Léon, Marco Fusè, Elena R Alonso, Santiago Mata, Giordano Mancini, Cristina Puzzarini, José Luis Alonso, Vincenzo Barone
Unbiased disentanglement of conformational baths with the help of microwave spectroscopy, quantum chemistry, and artificial intelligence: The puzzling case of homocysteine. The Journal of chemical physics 157 (7) (2022)
Giordano Mancini, Marco Fusè, Filippo Lipparini, Michele Nottoli, Giovanni Scalmani, Vincenzo Barone
Molecular Dynamics Simulations Enforcing Nonperiodic Boundary Conditions: New Developments and Application to the Solvent Shifts of Nitroxide Magnetic Parameters. Journal of chemical theory and computation 18 (4) (2022)
Simone Potenti, Lorenzo Spada, Marco Fusè, Giordano Mancini, Andrea Gualandi, Costanza Leonardi, Pier Giorgio Cozzi, Cristina Puzzarini, Vincenzo Barone
4-Fluoro-Threonine: From Diastereoselective Synthesis to pH-Dependent Conformational Equilibrium in Aqueous Solution. ACS omega 6 (20) (2021)
Matteo Busato, Andrea Melchior, Valentina Migliorati, Andrea Colella, Ingmar Persson, Giordano Mancini, Daniele Veclani, Paola D'Angelo
Elusive Coordination of the Ag+ Ion in Aqueous Solution: Evidence for a Linear Structure. Inorganic chemistry 59 (23) (2020)
Marta Martino, Andrea Salvadori, Federico Lazzari, Lorenzo Paoloni, Surajit Nandi, Giordano Mancini, Vincenzo Barone, Sergio Rampino
Chemical promenades: Exploring potential-energy surfaces with immersive virtual reality. Journal of computational chemistry 41 (13) (2020)
Giordano Mancini, Sara Del Galdo, Balasubramanian Chandramouli, Marco Pagliai, Vincenzo Barone
Computational Spectroscopy in Solution by Integration of Variational and Perturbative Approaches on Top of Clusterized Molecular Dynamics. Journal of chemical theory and computation 16 (9) (2020)
Giordano Mancini, Marco Fusè, Federico Lazzari, Balasubramanian Chandramouli, Vincenzo Barone
Unsupervised search of low-lying conformers with spectroscopic accuracy: A two-step algorithm rooted into the island model evolutionary algorithm. The Journal of chemical physics 153 (12) (2020)
Federico Lazzari, Andrea Salvadori, Giordano Mancini, Vincenzo Barone
Molecular Perception for Visualization and Computation: The Proxima Library. Journal of chemical information and modeling 60 (6) (2020)
Andrea Salvadori, Marco Fusè, Giordano Mancini, Sergio Rampino, Vincenzo Barone
Diving into chemical bonding: An immersive analysis of the electron charge rearrangement through virtual reality. Journal of computational chemistry 39 (31) (2018)
Daniele Licari, Marco Fusè, Andrea Salvadori, Nicola Tasinato, Marco Mendolicchio, Giordano Mancini, Vincenzo Barone
Towards the SMART workflow system for computational spectroscopy. Physical chemistry chemical physics : PCCP 20 (41) (2018)
Balasubramanian Chandramouli, Sara Del Galdo, Giordano Mancini, Nicola Tasinato, Vincenzo Barone
Tailor-made computational protocols for precise characterization of small biological building blocks using QM and MM approaches. Biopolymers 109 (10) (2018)

Giordano Mancini.css-eqlu8i{font-size:small;padding-left:4px;} (G Mancini)

Publication Activity (10 Years)

Top Topics

Top Venues

Giordano Mancini (G Mancini)