The applications of multiscale quantum–classical (QM–MM) approaches have shown an
extraordinary expansion and diversification in the last couple of decades. A great proportion …

Tip-enhanced Raman scattering (TERS) is one of the few methods to access the molecular
composition and structure of surfaces with extreme lateral and depth resolution, down to the …

We present quantum mechanics (QM)/frequency dependent fluctuating charge (QM/ωFQ)
and fluctuating dipoles (QM/ωFQFμ) multiscale approaches to model surface-enhanced …

Surface enhanced hyper Raman scattering (SEHRS) is the spontaneous, two-photon
excited Raman scattering that occurs for molecules residing in high local optical fields of …

Tip-enhanced Raman spectroscopy (TERS) is a valuable method for surface analysis with
nanometer to angstrom-scale resolution; however, the accurate simulation of particular …

The multidisciplinary nature of the research in molecular nanoplasmonics, ie, the use of
plasmonic nanostructures to enhance, control, or suppress properties of molecules …

Lately, experimental evidence of unexpectedly extremely high spatial resolution of tip-
enhanced Raman scattering (TERS) has been demonstrated. Theoretically, two different …

The fluorescence response of a chromophore in the proximity of a plasmonic nanostructure
can be enhanced by several orders of magnitude, yielding the so-called surface-enhanced …

One of the most exciting new developments in the plasmonic nanomaterials field is the
discovery of their ability to mediate a number of photocatalytic reactions. Since the initial …

Computational modeling of plasmon-mediated molecular photophysical and photochemical
behaviors can help us better understand and tune the bound molecular properties and …