Rampino S Relativistic effects and periodic trends: Dirac-Kohn-Sham characterization of super heavy elements Cn, Fl and Uuo Winter Modeling 2014 Special Edition, 1-2 December 2014, Pisa (Italy) Oral presentation Rampino S, Storchi L, Belpassi L Charge displacement analysis on four-component relativistic electron densities: a characterization study of Cn (E112), Fl (E114) and Uuo (E118) interacting with gold clusters 11th International Conference on Relativistic Effects in Heavy-Element Chemistry and Physics REHE-2014, 20-24 September 2014, Smolenice Castle (Slovak Republic) Poster Storchi L, Rampino S, Belpassi L, Tarantelli F, Quiney H M PosterBERTHA: distributed memory approach to all-electron four-component Dirac-Kohn-Sham calculations 11th International Conference on Relativistic Effects in Heavy-Element Chemistry and Physics REHE-2014, 20-24 September 2014, Smolenice Castle (Slovak Republic) Ciancaleoni G Examples of Synergy between NMR Spectroscopy and DFT Computational Methods TUMA 2014, 16-18 September 2014, Pesaro (Italy) Oral presentation (invited) Gaggioli C A, Bistoni G, Tarantelli F, Belanzoni P, Ciancaleoni G, Belpassi L Theoretical Study of the Ligand Effect in Gold(I) Homogeneous Catalysis. XXV Congresso Nazionale della Società Chimica Italiana, 7-12 September 2014, Arcavacata di Rende (Italy) Poster D’Amora A, Trinchillo M, Zuccaccia D, Biasolo L, Ciancaleoni G, Belpassi L, Belanzoni P Unexpected anion effect in the alkoxylation of alkynes catalyzed by NHC cationic gold 5th EuCheMS Chemistry Congress, 31 August-04 September 2014, Istanbul (Turkey) Poster Ciancaleoni G Relationship between Au-C bond properties and experimental observables 2nd Meeting AUCAT FIRB 2010, 22 July 2014, Udine (Italy) Oral presentation Rampino S, Storchi L, Belpassi L Charge Displacement analysis on relativistic electron densities with the Dirac-Kohn-Sham parallel program BERTHA 2nd Annual Meeting of the AuCat FIRB 2010 project, 22-23 July 2014, Udine (Italy) Oral presentation Trinchillo M, Biasolo L, D’Amora A, Zuccaccia D Role of countereion in alkoxylation of alkynes catalyzed by NHC cationic gold VII International School on Organometallic Chemistry Marcial Moreno Mañas, 25-27 June 2014, Bellaterra, Barcellona (Spain) Poster Rampino S An open-ended implementation of a relativistic DFT program International HPC Summer School 2014 on HPC Challenges in Computational Sciencs, 1-6 June 2014, Budapest (Hungary) Electronic poster Rampino S, Storchi L, Belpassi L, Tarantelli F, Quiney HM Full data parallel approach to all-electron four-component Dirac-Kohn-Sham calculations Winter Modeling 2014, 13-14 March 2014, Modena (Italy) Oral presentation Ciancaleoni G, Belpassi L, Biasiolo L, Bistoni G, Macchioni A, Tarantelli F, Zuccaccia D NMR/DFT determination of ligand effect on Au-C bond of [L-Au-aNAC]+ complexes EuCheMS Conference on Organometallic Chemistry, 30 June-4 July 2013, St. Andrews (UK) Poster (selected for short oral presentation) Macchioni A, Belpassi L, Ciancaleoni G, Tarantelli F, Zuccaccia D Linear gold(I) complexes: A systematic NMR/DFT study on the ligand effect on the structure of the ion pair in solution 245th ACS National Meeting & Exposition, 7-11 April 2013, New Orleans (USA) Poster Ciancaleoni G, Belpassi L, Macchioni A, Tarantelli F, Zuccaccia D Alkyne Gold(I) Complexes: a NMR and DFT study on the ion pair structure in solution XL Congresso Nazionale di Chimica Inorganica, 9-13 September 2012, Sestri Levante (GE) Oral presentation Zuccaccia D, Belpassi L Ion pairing in cationic gold catalysts GOLD 2012 On Gold Science Technology and its Applications VI International Conference, 5-8 September 2012, Tokyo (Japan) Oral presentation Zuccaccia D Determination of the Solution Supramolecular Structure of Organometallic Catalysts through Nmr Spectroscopy X CoGICO Congresso del Gruppo Interdivisionale di Chimica Organometallica, 5-8 June 2012, Padova (Italy), Bonati prize 2012 award Oral presentation |
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