Publikationen von R. Scipioni

Dappe, Y. J.; Scipioni, R.: Role of the van der Waals forces in the ability of a double-walled carbon nanotube to accommodate a C(60) molecule: The example of C(60)@(15,0)@(24,0). Physical Review B 84 (19), 193409 (2011)

Lee, M. V.; Scipioni, R.; Boero, M.; Silvestrelli, P. L.; Ariga, K.: The initiation mechanisms for surface hydrosilylation with 1-alkenes. Physical Chemistry Chemical Physics 13 (11), S. 4862 - 4867 (2011)

Scipioni, R.; Donadio, D.; Ghiringhelli, L. M.; Delle Site, L.: Proton Wires via One-Dimensional Water Chains Adsorbed on Metallic Steps. Journal of Chemical Theory and Computation 7 (9), S. 2681 - 2684 (2011)

Scipioni, R.; Hill, J. P.; Richards, G. J.; Boero, M.; Mori, T.; Ariga, K.; Ohno, T.: Tautomers of extended reduced pyrazinacenes: a density-functional-theory based study. Physical Chemistry Chemical Physics 13 (6), S. 2145 - 2150 (2011)

Scipioni, R.; Matsubara, M.; Ruiz, E.; Massobrio, C.; Boero, M.: Thermal behavior of Si-doped fullerenes vs their structural stability at T=0 K: A density functional study. Chemical Physics Letters 510 (1-3), S. 14 - 17 (2011)

Scipioni, R.; Boero, M.; Richards, G. J.; Hill, J. P.; Ohno, T.; Mori, T.; Ariga, K.: Tautomerism in Reduced Pyrazinacenes. Journal of Chemical Theory and Computation 6 (2), S. 517 - 525 (2010)

Scipioni, R.; Ohno, T.: Lattice parameter dependence of energy barriers of hydrogenation of ultra small carbon nanotubes. Chemical Physics Letters 492 (4-6), S. 263 - 265 (2010)

Scipioni, R.; Pumera, M.; Boero, M.; Miyahara, Y.; Ohno, T.: Investigation of the Mechanism of Adsorption of beta-Nicotinamide Adenine Dinucleotide on Single-Walled Carbon Nanotubes. Journal of Physical Chemistry Letters 1 (1), S. 122 - 125 (2010)