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Journal Article (8)
1.
Journal Article
84 (19), 193409 (2011)
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 2.
Journal Article
13 (11), pp. 4862 - 4867 (2011)
The initiation mechanisms for surface hydrosilylation with 1-alkenes. Physical Chemistry Chemical Physics 3.
Journal Article
7 (9), pp. 2681 - 2684 (2011)
Proton Wires via One-Dimensional Water Chains Adsorbed on Metallic Steps. Journal of Chemical Theory and Computation 4.
Journal Article
13 (6), pp. 2145 - 2150 (2011)
Tautomers of extended reduced pyrazinacenes: a density-functional-theory based study. Physical Chemistry Chemical Physics 5.
Journal Article
510 (1-3), pp. 14 - 17 (2011)
Thermal behavior of Si-doped fullerenes vs their structural stability at T=0 K: A density functional study. Chemical Physics Letters 6.
Journal Article
6 (2), pp. 517 - 525 (2010)
Tautomerism in Reduced Pyrazinacenes. Journal of Chemical Theory and Computation 7.
Journal Article
492 (4-6), pp. 263 - 265 (2010)
Lattice parameter dependence of energy barriers of hydrogenation of ultra small carbon nanotubes. Chemical Physics Letters 8.
Journal Article
1 (1), pp. 122 - 125 (2010)
Investigation of the Mechanism of Adsorption of beta-Nicotinamide Adenine Dinucleotide on Single-Walled Carbon Nanotubes. Journal of Physical Chemistry Letters