Marco Fusè

Scopus Author ID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 27

Top Topics

Molecular Dynamics Simulations

Artificial Intelligence

Top Venues

Journal of chemical theory and computation

Molecules (Basel, Switzerland)

Physical chemistry chemical physics : PCCP

The journal of physical chemistry. A

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

Publications

Giuseppe Mazzeo, Marco Fusè, Julien Bloino, Antonio Evidente, Sergio Abbate, Giovanna Longhi
CPL of Mellein and Related Natural Compounds: Analysis of the ESIPT Phenomenon. Chemphyschem : a European journal of chemical physics and physical chemistry (2024)
Giovanna Longhi, Simone Ghidinelli, Sergio Abbate, Giuseppe Mazzeo, Marco Fusè, Stefan E Boiadjiev, David A Lightner
Insights into the Structures of Bilirubin and Biliverdin from Vibrational and Electronic Circular Dichroism: History and Perspectives. Molecules (Basel, Switzerland) 28 (6) (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 (2023)
Vincenzo Barone, Marco Fusè
Accurate Structures and Spectroscopic Parameters of Phenylalanine and Tyrosine in the Gas Phase: A Joint Venture of DFT and Composite Wave-Function Methods. The journal of physical chemistry. A (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)
Giovanna Longhi, Simone Ghidinelli, Sergio Abbate, Giuseppe Mazzeo, Marco Fusè, Stefan E Boiadjiev, David A Lightner
Insights into the Structures of Bilirubin and Biliverdin from Vibrational and Electronic Circular Dichroism: History and Perspectives. Molecules (Basel, Switzerland) 28 (6) (2023)
Giuseppe Mazzeo, Marco Fusè, Antonio Evidente, Sergio Abbate, Giovanna Longhi
Circularly polarized luminescence of natural products lycorine and narciclasine: role of excited-state intramolecular proton-transfer and test of pH sensitivity. Physical chemistry chemical physics : PCCP (2023)
Giovanna Longhi, Simone Ghidinelli, Sergio Abbate, Giuseppe Mazzeo, Marco Fusè, Stefan E Boiadjiev, David A Lightner
Insights into the Structures of Bilirubin and Biliverdin from Vibrational and Electronic Circular Dichroism: History and Perspectives. Molecules (Basel, Switzerland) 28 (6) (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)
Marco Fusè, Giovanna Longhi, Giuseppe Mazzeo, Stefano Stranges, Francesca Leonelli, Giorgia Aquila, Enrico Bodo, Bruno Brunetti, Carlo Bicchi, Cecilia Cagliero, Julien Bloino, Sergio Abbate
Anharmonic Aspects in Vibrational Circular Dichroism Spectra from 900 to 9000 cm -1 for Methyloxirane and Methylthiirane. The journal of physical chemistry. A 126 (38) (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)
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)
Vincenzo Barone, Marco Fusè, Sandra Mónica Vieira Pinto, Nicola Tasinato
A Computational Journey across Nitroxide Radicals: From Structure to Spectroscopic Properties and Beyond. Molecules (Basel, Switzerland) 26 (23) (2021)
Giorgio Facchetti, Raffaella Bucci, Marco Fusè, Emanuela Erba, Raffaella Gandolfi, Sara Pellegrino, Isabella Rimoldi
Alternative Strategy to Obtain Artificial Imine Reductase by Exploiting Vancomycin/D-Ala-D-Ala Interactions with an Iridium Metal Complex. Inorganic chemistry 60 (5) (2021)
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)
Lorenzo Paoloni, Marco Fusè, Alberto Baiardi, Vincenzo Barone
Interplay of Stereoelectronic and Vibrational Modulation Effects in Tuning the UPS Spectra of Unsaturated Hydrocarbon Cage Compounds. Journal of chemical theory and computation 16 (8) (2020)
Simone Potenti, Lorenzo Paoloni, Surajit Nandi, Marco Fusè, Vincenzo Barone, Sergio Rampino
Chemical bonding in cuprous complexes with simple nitriles: octet rule and resonance concepts versus quantitative charge-redistribution analysis. Physical chemistry chemical physics : PCCP 22 (36) (2020)
Lorenzo Paoloni, Giuseppe Mazzeo, Giovanna Longhi, Sergio Abbate, Marco Fusè, Julien Bloino, Vincenzo Barone
Toward Fully Unsupervised Anharmonic Computations Complementing Experiment for Robust and Reliable Assignment and Interpretation of IR and VCD Spectra from Mid-IR to NIR: The Case of 2,3-Butanediol and trans-1,2-Cyclohexanediol. The journal of physical chemistry. A 124 (5) (2020)
Fan Xie, Marco Fusè, Arsh S Hazrah, Wolfgang Jäger, Vincenzo Barone, Yunjie Xu
Discovering the Elusive Global Minimum in a Ternary Chiral Cluster: Rotational Spectra of Propylene Oxide Trimer. Angewandte Chemie (International ed. in English) 59 (50) (2020)
Sara Del Galdo, Marco Fusè, Vincenzo Barone
The ONIOM/PMM Model for Effective Yet Accurate Simulation of Optical and Chiroptical Spectra in Solution: Camphorquinone in Methanol as a Case Study. Journal of chemical theory and computation 16 (5) (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)
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)
Marco Fusè, Isabella Rimoldi, Giorgio Facchetti, Sergio Rampino, Vincenzo Barone
Exploiting coordination geometry to selectively predict the σ-donor and π-acceptor abilities of ligands: a back-and-forth journey between electronic properties and spectroscopy. Chemical communications (Cambridge, England) 54 (19) (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)
Franco Egidi, Marco Fusè, Alberto Baiardi, Julien Bloino, Xiaosong Li, Vincenzo Barone
Computational simulation of vibrationally resolved spectra for spin-forbidden transitions. Chirality 30 (7) (2018)