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Fausto Cargnoni
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Chemical information from the source function
C Gatti, F Cargnoni, L Bertini
Journal of computational chemistry 24 (4), 422-436, 2003
1952003
Interstitial Zn Atoms Do the Trick in Thermoelectric Zinc Antimonide, Zn4Sb3: 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
1742004
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
1382002
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
991998
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
642004
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
622000
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
552007
Predicting atomic dopant solvation in helium clusters: The MgHen case
M Mella, G Calderoni, F Cargnoni
The Journal of chemical physics 123 (5), 2005
452005
Ground state potential energy surfaces and bound states of M–He dimers (M= Cu, Ag, Au): A theoretical investigation
F Cargnoni, T Kuś, M Mella, RJ Bartlett
The Journal of chemical physics 129 (20), 2008
402008
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
382014
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
382014
An ab initio investigation of the He–H2O complex
G Calderoni, F Cargnoni, M Raimondi
Chemical physics letters 370 (1-2), 233-239, 2003
372003
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
302019
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
272003
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
252019
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
222021
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
222011
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
202000
Hydrogen diffusion in crystalline SiO2
A Bongiorno, L Colombo, F Cargnoni
Chemical physics letters 264 (3-4), 435-440, 1997
191997
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
182016
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