Presentations & posters

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
BERTHA: 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)
Poster

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