Chemical information from the source function C Gatti, F Cargnoni, L Bertini
Journal of computational chemistry 24 (4), 422-436, 2003
196 2003 Interstitial Zn Atoms Do the Trick in Thermoelectric Zinc Antimonide, Zn4 Sb3 : A Combined Maximum Entropy Method X‐ray Electron Density and Ab Initio … F Cargnoni, E Nishibori, P Rabiller, L Bertini, GJ Snyder, M Christensen, ...
Chemistry–A European Journal 10 (16), 3861-3870, 2004
174 2004 Fundamental Properties and Nature of CH⊙⊙ O Interactions in Crystals on the Basis of Experimental and Theoretical Charge Densities. The Case of 3, 4-Bis (dimethylamino)-3 … C Gatti, E May, R Destro, F Cargnoni
The Journal of Physical Chemistry A 106 (11), 2707-2720, 2002
138 2002 Formation and annihilation of a bond defect in silicon: An ab initio quantum-mechanical characterization F Cargnoni, C Gatti, L Colombo
Physical Review B 57 (1), 170, 1998
99 1998 An experimental (120 K) and theoretical electron-density study of KMnO4 and KClO4 D Marabello, R Bianchi, G Gervasio, F Cargnoni
Acta Crystallographica Section A: Foundations of Crystallography 60 (5), 494-501, 2004
64 2004 Evolution of energetics and bonding of compact self-interstitial clusters in Si A Bongiorno, L Colombo, F Cargnoni, C Gatti, M Rosati
EPL (Europhysics Letters) 50 (5), 608, 2000
62 2000 Chemical insight into electron density and wave functions: software developments and applications to crystals, molecular complexes and materials science L Bertini, F Cargnoni, C Gatti
Theoretical Chemistry Accounts 117, 847-884, 2007
55 2007 Predicting atomic dopant solvation in helium clusters: The MgHen case M Mella, G Calderoni, F Cargnoni
The Journal of chemical physics 123 (5), 2005
45 2005 Ground state potential energy surfaces and bound states of M–He dimers (M= Cu, Ag, Au): A theoretical investigation F Cargnoni, T Ku¶, M Mella, RJ Bartlett
The Journal of chemical physics 129 (20), 2008
40 2008 Picosecond solvation dynamics of alkali cations in superfluid nanodroplets A Leal, D Mateo, A Hernando, M Pi, M Barranco, A Ponti, F Cargnoni, ...
Physical Review B 90 (22), 224518, 2014
39 2014 Communication: Nucleation of quantized vortex rings in 4He nanodroplets D Mateo, A Leal, A Hernando, M Barranco, M Pi, F Cargnoni, M Mella, ...
The Journal of chemical physics 140 (13), 2014
39 2014 An ab initio investigation of the He–H2O complex G Calderoni, F Cargnoni, M Raimondi
Chemical physics letters 370 (1-2), 233-239, 2003
37 2003 Unraveling the degradation mechanism in firpic-based blue OLEDs: II. Trap and detect molecules at the interfaces M Penconi, M Cazzaniga, W Panzeri, A Mele, F Cargnoni, D Ceresoli, ...
Chemistry of Materials 31 (7), 2277-2285, 2019
32 2019 Germanium K edge in GeO 2 polymorphs. Correlation between local coordination and electronic structure of germanium L Bertini, P Ghigna, M Scavini, F Cargnoni
Physical Chemistry Chemical Physics 5 (7), 1451-1456, 2003
27 2003 A cascade mechanism for a simple reaction: the gas-phase methylation of phenol with methanol T Tabanelli, S Passeri, S Guidetti, F Cavani, C Lucarelli, F Cargnoni, ...
Journal of catalysis 370, 447-460, 2019
25 2019 Unveiling the acetone sensing mechanism by WO3 chemiresistors through a joint theory-experiment approach S Americo, E Pargoletti, R Soave, F Cargnoni, MI Trioni, GL Chiarello, ...
Electrochimica Acta 371, 137611, 2021
23 2021 Solubility of metal atoms in helium droplets: Exploring the effect of the well depth using the coinage metals Cu and Ag F Cargnoni, M Mella
The Journal of Physical Chemistry A 115 (25), 7141-7152, 2011
22 2011 Geometrical reconstructions and electronic relaxations of silicon surfaces. I. An electron density topological study of H-covered and clean surfaces F Cargnoni, C Gatti, E May, D Narducci
The Journal of Chemical Physics 112 (2), 887-899, 2000
20 2000 Hydrogen diffusion in crystalline SiO2 A Bongiorno, L Colombo, F Cargnoni
Chemical physics letters 264 (3-4), 435-440, 1997
19 1997 Dynamics of photoexcited Ba+ cations in 4He nanodroplets A Leal, X Zhang, M Barranco, F Cargnoni, A Hernando, D Mateo, M Mella, ...
The Journal of chemical physics 144 (9), 2016
18 2016