Classical and ab Initio Plasmonics Meet at Sub-nanometric Noble Metal Rods R Sinha-Roy, P García-González, HC Weissker, F Rabilloud, ...
ACS photonics 4 (6), 1484-1493, 2017
62 2017 Driving orbital magnetism in metallic nanoparticles through circularly polarized light: A real-time tddft study R Sinha-Roy, J Hurst, G Manfredi, PA Hervieux
ACS photonics 7 (9), 2429-2439, 2020
28 2020 Identifying electronic modes by fourier transform from δ-kick time-evolution tddft calculations R Sinha-Roy, P García-González, X López Lozano, RL Whetten, ...
Journal of Chemical Theory and Computation 14 (12), 6417-6426, 2018
22 2018 Chiral symmetry breaking yields the I -Au60 perfect golden shell of singular rigidity SM Mullins, HC Weissker, R Sinha-Roy, JJ Pelayo, IL Garzón, ...
Nature Communications 9 (1), 3352, 2018
20 2018 In search of the quantum-electronic origin of color change: elucidation of the subtle effects of alloying with copper on≈ 1.8 nm gold nanoclusters R Sinha-Roy, X López-Lozano, RL Whetten, P García-González, ...
The Journal of Physical Chemistry C 121 (10), 5753-5760, 2017
10 2017 How metallic are noble-metal clusters? Static screening and polarizability in quantum-sized silver and gold nanoparticles R Sinha-Roy, P García-González, HC Weissker
Nanoscale 12 (7), 4452-4458, 2020
8 2020 Electronic structure and conductivity of off-stoichiometric and Si-doped crystals from multiple-scattering theory R Sinha-Roy, A Louiset, M Benoit, L Calmels
Physical Review B 99 (24), 245124, 2019
8 2019 Crucial Role of Conjugation in Monolayer-Protected Metal Clusters with Aromatic Ligands: Insights from the Archetypal Au144 L60 Cluster Compounds R Sinha-Roy, X López-Lozano, RL Whetten, HC Weissker
The Journal of Physical Chemistry Letters 12 (38), 9262-9268, 2021
7 2021 Visualizing screening in noble-metal clusters: static vs. dynamic R Sinha-Roy, P García-González, X López-Lozano, HC Weissker
Physical Chemistry Chemical Physics 25 (3), 2075-2083, 2023
2 2023 Optical properties of (BDT) (TPP) in the VIS and UV and influence of ligand modeling based on real-time electron dynamics R Sinha-Roy, X López-Lozano, RL Whetten, HC Weissker
Theoretical Chemistry Accounts 140 (7), 91, 2021
2 2021 Effects of Si Doping on the Electronic Structure and Conductivity of Pure and Off-Stoichiometric Ge2 Sb2 Te5 Cystrals: First-Principles Investigation R Sinha-Roy, A Louiset, M Benoit, L Calmels
APS March Meeting Abstracts 2019, R19. 011, 2019
2019 Ab initio simulations of opticalproperties of noble-metal clusters R Sinha Roy
2018 Driving orbital magnetism in metallic nanoparticles through plasmonic effects G Manfredi, J Hurst, PA Hervieux, R Sinha-Roy, P Oppeneer