Publications
“Probing the mechanism for graphene nanoribbon formation on gold surfaces through Xray spectroscopy”, Chemical science (Camb. 2010. Print), vol. 5, pp. 4419–4423, 2014.
, “Pseudopotentials periodic table: From H to Pu”, Computational materials science, vol. 95, pp. 337–350, 2014.
, “Pushing the High-Energy Limit of Plasmonics”, ACS nano, vol. 8, pp. 9239–9247, 2014.
, “QM/MM Molecular Dynamics Studies of Metal Binding Proteins”, Biomolecules, vol. 4, pp. 616–645, 2014.
, “Quantum Gibbs ensemble Monte Carlo”, The Journal of chemical physics, vol. 141, 2014.
, “Quantum Monte Carlo Study of the Protonated Water Dimer”, Journal of chemical theory and computation, vol. 10, pp. 1980–1993, 2014.
, “Radiative Recombination and Photoconversion of Methylammonium Lead Iodide Perovskite by First Principles: Properties of an Inorganic Semiconductor within a Hybrid Body”, Journal of physical chemistry. C, vol. 118, pp. 24843–24853, 2014.
, “Reactivity of Carbon Dioxide on Nickel: Role of CO in the Competing Interplay between Oxygen and Graphene”, Journal of Physical Chemistry Letters, vol. 5, pp. 1929–1934, 2014.
, “Reentrant Surface Anisotropy in the Antiferromagnetic/Ferromagnetic Bilayer Mn/Co/Cu(001)”, Physical Review Letters, vol. 112, p. 037201, 2014.
, “Regional Climate Simulations on EU-INDIA Grid Infrastructures: Methodologies and Performance”, Journal of Grid Computing, vol. 12, pp. 303–320, 2014.
, “Relativistic GW calculations on CH3NH3PbI3 and CH3NH3SnI3 Perovskites for Solar Cell Applications”, Scientific Reports, vol. 4, p. 4467, 2014.
, “Reliability evaluation of thermophysical properties from first-principles calculations”, Journal of Physics-condensed Matter, vol. 26, p. 335401, 2014.
, “Reply to "Comment on 'Insight into Organometallic Intermediate and Its Evolution to Covalent Bonding in Surface-Confined Ullmann Polymerization'"”, Acs Nano, vol. 8, pp. 1969–1971, 2014.
, “Resonance properties of thick plasmonic split ring resonators for sensing applications”, Optics express, vol. 22, pp. 26476–26486, 2014.
, “Restricted Spots of Light Reveal an Efficacy Gradient of the Phototransduction Cascade Along the Rod Outer Segment”, Biophysical Journal, vol. 106, p. Biophys Soc, 2014.
, “Rigid- and Polarizable-ion Potentials for Modeling Ru-polyoxometalate Catalysts for Water Oxidation”, Acta chimica slovenica (Print ed.), vol. 61, pp. 302–307, 2014.
, “Robust s(+/-) superconductivity in a two-band Hubbard-Frohlich model of alkali-doped organics”, Physical Review B, vol. 90, pp. 4512–4512, 2014.
, “Role of Cluster Morphology in the Dynamics and Reactivity of Subnanometer Pt Clusters Supported on Ceria Surfaces”, Journal of physical chemistry. C, vol. 118, pp. 21014–21020, 2014.
, “Role of Oxygen in Acetic Acid Decomposition on Pt(111)”, Journal of Physical Chemistry C, vol. 118, pp. 14316–14325, 2014.
, “The role of the substrate surface morphology in enhancing the MgB2 superconducting temperature”, Journal of Materials Science, vol. 49, pp. 4108–4114, 2014.
, “Rotatable magnetic anisotropy in a Fe0.8Ga0.2 thin film with stripe domains: Dynamics versus statics”, Physical Review B, vol. 89, p. 024411, 2014.
, “Ru[(bpy)(2)(dppz)](2+) and Rh[(bpy)(2)(chrysi)](3+) Targeting Double Strand DNA: The Shape of the Intercalating Ligand Tunes the Free Energy Landscape of Deintercalation”, Inorganic Chemistry, vol. 53, pp. 7999–8008, 2014.
, “Seismic Hazard Assesment: Parametric Studies on Grid Infrastructures”, in Frontiers of Fundamental Physics and Physics Education Research, vol. 145, Springer International Publishing, 2014.
, “Selective Mott Physics as a Key to Iron Superconductors”, Physical review letters (Print), vol. 112, 2014.
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