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Piercarlo Fantucci

Piercarlo Fantucci

D-Index & Metrics

Chemistry

D-Index
55
Citations
9815
World Ranking
12241
National Ranking
403

Overview

Piercarlo Fantucci is affiliated with the University of Milano-Bicocca in Italy. Their research primarily intersects the fields of Energy and Materials Science, with notable contributions in related subfields such as Renewable Energy, Sustainability and the Environment, Materials Chemistry, and Inorganic Chemistry. They have also explored topics pertinent to Plant Science and Biomedical Engineering.

Their scientific work encompasses several specialized topics including Metal-Catalyzed Oxygenation Mechanisms, Metalloenzymes and iron-sulfur proteins, CO₂ Reduction Techniques and Catalysts, Enzyme-mediated dye degradation, Lignin and Wood Chemistry, Microbial Metabolism and Applications, and Pain Mechanisms and Treatments.

Recent publications authored or co-authored by Piercarlo Fantucci demonstrate a focus on theoretical and computational chemistry applied to bio-inorganic systems and enzymatic processes. Selected papers include:

  • First-Principles Calculations on Ni,Fe-Containing Carbon Monoxide Dehydrogenases Reveal Key Stereoelectronic Features for Binding and Release of CO2 to/from the C-Cluster, 2020, Inorganic Chemistry
  • Recent Theoretical Insights into the Oxidative Degradation of Biopolymers and Plastics by Metalloenzymes, 2023, International Journal of Molecular Sciences
  • N-Acetylcysteine Antagonizes NGF Activation of TrkA through Disulfide Bridge Interaction, an Effect Which May Contribute to Its Analgesic Activity, 2023, International Journal of Molecular Sciences
  • A 'donor-free' chromophore with a silicon-based acceptor group for second order nonlinear optics, 2021, Inorganica Chimica Acta
  • Investigations of the electronic-molecular structure of bio-inorganic systems using modern methods of quantum chemistry, 2021, Inorganica Chimica Acta

The scientist has published predominantly in the following venues:

  • International Journal of Molecular Sciences
  • Inorganica Chimica Acta
  • Inorganic Chemistry
  • The Cambridge Structural Database

Collaboration has been a consistent aspect of Piercarlo Fantucci's research, with frequent co-authors including Jacopo Vertemara, Federica Arrigoni, Claudio Greco, Luca De Gioia, and Raffaella Breglia.

Best Publications

  • Quantum chemistry of small clusters of elements of groups Ia, Ib, and IIa: fundamental concepts, predictions, and interpretation of experiments

    Vlasta. Bonacic-Koutecky;Piercarlo. Fantucci;Jaroslav. Koutecky

  • Free-energy landscape, principal component analysis, and structural clustering to identify representative conformations from molecular dynamics simulations: The myoglobin case

    Elena Papaleo;Paolo Mereghetti;Paolo Mereghetti;Piercarlo Fantucci;Rita Grandori

  • Theoretical aspects of metal atom clusters

    Jaroslav Koutecky;Piercarlo Fantucci

  • Density functional study of structural and electronic properties of bimetallic silver–gold clusters: Comparison with pure gold and silver clusters

    Vlasta Bonačić-Koutecký;Jaroslav Burda;Roland Mitrić;Maofa Ge

  • Effective core potential‐configuration interaction study of electronic structure and geometry of small neutral and cationic Agn clusters: Predictions and interpretation of measured properties

    V. Bonačić‐Koutecký;L. Češpiva;P. Fantucci;J. Koutecký

  • Density functional calculations of magnetic exchange interactions in polynuclear transition metal complexes

    Alessandro Bencini;Federico Totti;Claude A. Daul;Karel Doclo

  • An accurate relativistic effective core potential for excited states of Ag atom: An application for studying the absorption spectra of Agn and Agn+ clusters

    Vlasta Bonačić-Koutecký;Jiřı́ Pittner;Marc Boiron;Piercarlo Fantucci

  • Charge density topological study of bonding in lithium clusters

    Carlo Gatti;Piercarlo Fantucci;Gianfranco Pacchioni

  • The cold-active lipase of Pseudomonas fragi. Heterologous expression, biochemical characterization and molecular modeling.

    Claudia Alquati;Luca De Gioia;Gianluca Santarossa;Lilia Alberghina

  • Theoretical interpretation of the photoelectron detachment spectra of Na−2–5 and of the absorption spectra of Na3, Na4, and Na8 clusters

    Vlasta Bonačić‐Koutecký;Piercarlo Fantucci;Jaroslav Koutecký

  • Effective core potential‐configuration interaction study of electronic structure and geometry of small anionic Agn clusters: Predictions and interpretation of photodetachment spectra

    V. Bonačić‐Koutecký;L. Češpiva;P. Fantucci;J. Pittner

  • DFT investigations of models related to the active site of [NiFe] and [Fe] hydrogenases

    Maurizio Bruschi;Giuseppe Zampella;Piercarlo Fantucci;Luca De Gioia

  • 2-Arylpropionic CXC chemokine receptor 1 (CXCR1) ligands as novel noncompetitive CXCL8 inhibitors.

    Marcello Allegretti;Riccardo Bertini;Maria Candida Cesta;Cinzia Bizzarri

  • Mutations in the "lid" region affect chain length specificity and thermostability of a Pseudomonas fragi lipase.

    Gianluca Santarossa;Pietro Gatti Lafranconi;Claudia Alquati;Luca DeGioia

  • Influence of the [2Fe]H Subcluster Environment on the Properties of Key Intermediates in the Catalytic Cycle of [FeFe] Hydrogenases: Hints for the Rational Design of Synthetic Catalysts

    Maurizio Bruschi;Claudio Greco;Markus Kaukonen;Piercarlo Fantucci

  • Reactivity of peroxo forms of the vanadium haloperoxidase cofactor. A DFT investigation.

    Giuseppe Zampella;Piercarlo Fantucci;Vincent L. Pecoraro;Luca De Gioia

  • Insights into the Mechanism of Electrocatalytic Hydrogen Evolution Mediated by Fe2(S2C3H6)(CO)6: The Simplest Functional Model of the Fe-Hydrogenase Active Site

    Claudio Greco;Giuseppe Zampella;Luca Bertini;Maurizio Bruschi

  • Density functional theory investigation of the active site of [Fe]-hydrogenases: effects of redox state and ligand characteristics on structural, electronic, and reactivity properties of complexes related to the [2Fe]H subcluster.

    Maurizio Bruschi;Piercarlo Fantucci;Luca De Gioia

  • DFT Investigation of Structural, Electronic, and Catalytic Properties of Diiron Complexes Related to the [2Fe]H Subcluster of Fe-Only Hydrogenases

    Maurizio Bruschi;Piercarlo Fantucci;Luca De Gioia

  • Catalytic Mechanism of Fungal Lytic Polysaccharide Monooxygenases Investigated by First-Principles Calculations

    Luca Bertini;Raffaella Breglia;Matteo Lambrughi;Piercarlo Fantucci

  • The yeast cyclin-dependent kinase inhibitor Sic1 and mammalian p27Kip1 are functional homologues with a structurally conserved inhibitory domain.

    Matteo Barberis;Luca De Gioia;Maria Ruzzene;Stefania Sarno

Frequent Co-Authors

Luca De Gioia
Luca De Gioia University of Milano-Bicocca
Vlasta Bonačić-Koutecký
Vlasta Bonačić-Koutecký University of Split
Gianfranco Pacchioni
Gianfranco Pacchioni University of Milano-Bicocca
Jiří Pittner
Jiří Pittner Czech Academy of Sciences
Renato Ugo
Renato Ugo University of Milan
Julius Jellinek
Julius Jellinek Argonne National Laboratory
Ulf Ryde
Ulf Ryde Lund University
Lilia Alberghina
Lilia Alberghina University of Milano-Bicocca
Carlo Gatti
Carlo Gatti National Research Council (CNR)
Maria P. Abbracchio
Maria P. Abbracchio University of Milan

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