Giant intermolecular decay and fragmentation of clusters LS Cederbaum, J Zobeley, F Tarantelli
Physical review letters 79 (24), 4778, 1997
774 1997 The Chemical Bond between Au(I) and the Noble Gases. Comparative Study of NgAuF and NgAu+ (Ng = Ar, Kr, Xe) by Density Functional and Coupled Cluster … L Belpassi, I Infante, F Tarantelli, L Visscher
Journal of the American Chemical Society 130 (3), 1048-1060, 2008
263 2008 Influence of the dye molecular structure on the TiO 2 conduction band in dye-sensitized solar cells: disentangling charge transfer and electrostatic effects E Ronca, M Pastore, L Belpassi, F Tarantelli, F De Angelis
Energy & Environmental Science 6 (1), 183-193, 2013
255 2013 Auger electron angular distribution of double core-hole states in the molecular reference frame JP Cryan, JM Glownia, J Andreasson, A Belkacem, N Berrah, CI Blaga, ...
Physical review letters 105 (8), 083004, 2010
203 2010 Double Core-Hole Production in : Beating the Auger Clock L Fang, M Hoener, O Gessner, F Tarantelli, ST Pratt, O Kornilov, C Buth, ...
Physical review letters 105 (8), 083005, 2010
198 2010 On double vacancies in the core LS Cederbaum, F Tarantelli, A Sgamellotti, J Schirmer
The Journal of chemical physics 85 (11), 6513-6523, 1986
193 1986 Ultrafast X-ray Auger probing of photoexcited molecular dynamics BK McFarland, JP Farrell, S Miyabe, F Tarantelli, A Aguilar, N Berrah, ...
Nature communications 5 (1), 4235, 2014
165 2014 Ion pairing in cationic olefin− gold (I) complexes D Zuccaccia, L Belpassi, F Tarantelli, A Macchioni
Journal of the American Chemical Society 131 (9), 3170-3171, 2009
157 2009 Block Lanczos and many‐body theory: Application to the one‐particle Green’s function HG Weikert, HD Meyer, LS Cederbaum, F Tarantelli
The Journal of chemical physics 104 (18), 7122-7138, 1996
152 1996 pKa of zinc-bound water and nucleophilicity of hydroxo-containing species. Ab initio calculations on models for zinc enzymes I Bertini, C Luchinat, M Rosi, A Sgamellotti, F Tarantelli
Inorganic chemistry 29 (8), 1460-1463, 1990
147 1990 How π back-donation quantitatively controls the CO stretching response in classical and non-classical metal carbonyl complexes G Bistoni, S Rampino, N Scafuri, G Ciancaleoni, D Zuccaccia, L Belpassi, ...
Chemical science 7 (2), 1174-1184, 2016
143 2016 Nuclear dynamics of decaying states: A time‐dependent formulation LS Cederbaum, F Tarantelli
The Journal of chemical physics 98 (12), 9691-9706, 1993
122 1993 A Phosphine Gold (I) π-Alkyne Complex: Tuning the Metal− Alkyne Bond Character and Counterion Position by the Choice of the Ancillary Ligand D Zuccaccia, L Belpassi, L Rocchigiani, F Tarantelli, A Macchioni
Inorganic chemistry 49 (7), 3080-3082, 2010
115 2010 Counterion effect in the reaction mechanism of NHC gold (I)-catalyzed alkoxylation of alkynes: computational insight into experiment G Ciancaleoni, L Belpassi, D Zuccaccia, F Tarantelli, P Belanzoni
Acs Catalysis 5 (2), 803-814, 2015
110 2015 On the Dewar–Chatt–Duncanson model for catalytic gold (I) complexes N Salvi, L Belpassi, F Tarantelli
Chemistry–A European Journal 16 (24), 7231-7240, 2010
110 2010 Revealing charge-transfer effects in gas-phase water chemistry D Cappelletti, E Ronca, L Belpassi, F Tarantelli, F Pirani
Accounts of chemical research 45 (9), 1571-1580, 2012
104 2012 Theoretical investigation of many dicationic states and the Auger spectrum of benzene F Tarantelli, A Sgamellotti, LS Cederbaum, J Schirmer
The Journal of chemical physics 86 (4), 2201-2206, 1987
104 1987 Solvent-, silver-, and acid-free NHC-Au-X catalyzed hydration of alkynes. The pivotal role of the counterion M Gatto, P Belanzoni, L Belpassi, L Biasiolo, A Del Zotto, F Tarantelli, ...
ACS Catalysis 6 (11), 7363-7376, 2016
100 2016 Many dicationic states and two‐hole population analysis as a bridge to Auger spectra: Strong localization phenomena in BF3 F Tarantelli, A Sgamellotti, LS Cederbaum
The Journal of chemical physics 94 (1), 523-532, 1991
97 1991 Charge-Transfer Energy in the Water− Hydrogen Molecular Aggregate Revealed by Molecular-Beam Scattering Experiments, Charge Displacement Analysis, and ab Initio Calculations L Belpassi, ML Reca, F Tarantelli, LF Roncaratti, F Pirani, D Cappelletti, ...
Journal of the American Chemical Society 132 (37), 13046-13058, 2010
91 2010