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20002020
most citedElectronic spin transport and spin precession in single graphene layers at room temperature

2.4k citations

Showing physics.chem-phShow all

8 papers · 1 filter

physics.chem-ph2020★ 28 cited

Exciton localization in tubular molecular aggregates: size effects and optical response

Anna S. Bondarenko, Thomas L. C. Jansen, Jasper Knoester

We study the exciton localization and resulting optical response for disordered tubular aggregates of optically active molecules. It has been shown previously that such tubular str…

physics.chem-ph2019★ 22 cited

Tunable energy and mass renormalization from homothetic Quantum dot arrays

Ignacio Piquero-Zulaica Jun Li, Zakaria M. Abd El-Fattah, Leonid Solianyk +7

Quantum dot arrays in the form of molecular nanoporous networks are renown for modifying the electronic surface properties through quantum confinement. Here we show that, compared…

physics.chem-ph2019★ 88 cited

Accurate biomolecular simulations account for electronic polarization

Josef Melcr, Jean-Philip Piquemal

In this perspective, we discuss where and how accounting for electronic many-body polarization affects the accuracy of classical molecular dynamics simulations of biomolecules.Whil…

physics.chem-ph2019★ 66 cited

Interplay between Structural Hierarchy and Exciton Diffusion in Artificial Light Harvesting

Björn Kriete, Julian Lüttig, Tenzin Kunsel +5

Unravelling the nature of energy transport in multi-chromophoric photosynthetic complexes is essential to extract valuable design blueprints for light-harvesting applications. Long…

physics.chem-ph2018★ 137 cited

Spatially-resolved Fluorescence-detected Two-dimensional Electronic Spectroscopy Probes Varying Electronic Couplings in Photosynthetic Bacteria

Vivek Tiwari, Yassel Acosta-Matutes, Alastair T. Gardiner +2

We present a variation of two-dimensional electronic spectroscopy that is capable of mapping spatially-varying differences in electronic couplings using a correlated map of excitat…

physics.chem-ph2016★ 21 cited

How two-dimensional brick layer J-aggregates differ from linear ones: excitonic properties and line broadening mechanisms

Arend G. Dijkstra, Hong-Guang Duan, Jasper Knoester +2

We study the excitonic coupling and homogeneous spectral line width of brick layer J-aggregate films. We begin by analysing the structural information revealed by the two-exciton s…

physics.chem-ph2016★ 62 cited

The sequence to hydrogenate coronene cations: A journey guided by magic numbers

Stéphanie Cazaux, Leon Boschman, Nathalie Rougeau +6

The understanding of hydrogen attachment to carbonaceous surfaces is essential to a wide variety of research fields and technologies such as hydrogen storage for transportation, pr…

physics.chem-ph2011

OEP calculations using Slater-type basis functions: atoms and diatomic molecules

J. J. Fernandez, J. E. Alvarellos, P. Garcia-Gonzalez +1

The exchange-only optimized effective potential method is implemented with the use of Slater-type basis functions, seeking for an alternative to the standard methods of solution wi…