Piercarlo Fantucci

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

Elena Papaleo, Paolo Mereghetti, Piercarlo Fantucci et al. · Journal of Molecular Graphics and Modelling · 2009 · 564 citations

Engineering, Protein Folding, Molecular Biology +11

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

Vlasta Bonačić‐Koutecký, Jaroslav V. Burda, Roland Mitrić et al. · The Journal of Chemical Physics · 2002 · 315 citations

Engineering, Gold Clusters, Metal Nanoparticles +20

Systematic<i>ab initio</i>configuration-interaction study of alkali-metal clusters: Relation between electronic structure and geometry of small Li clusters

Ihsan Boustani, W. Pewestorf, Piercarlo Fantucci et al. · Physical review. B, Condensed matter · 1987 · 299 citations

Materials Science, Cluster Science, Engineering +14

Effective core potential-configuration interaction study of electronic structure and geometry of small neutral and cationic Ag<i>n</i> clusters: Predictions and interpretation of measured properties

Vlasta Bonačić‐Koutecký, L. Češpiva, Piercarlo Fantucci et al. · The Journal of Chemical Physics · 1993 · 267 citations

Ib Clusters, Cluster Science, Engineering +12

Density Functional Calculations of Magnetic Exchange Interactions in Polynuclear Transition Metal Complexes

Alessandro Bencini, Federico Totti, Claude Daul et al. · Inorganic Chemistry · 1997 · 236 citations