A critical review on the mechanisms and behavior of 4f intraconfigurational transitions in
controllable chemical environments related to nonradiative intramolecular energy transfer …

The rates for up-conversion intersystem crossing (UISC) from the T1 state to the S1 state are
calculated for a series of organic emitters with an emphasis on thermally activated delayed …

Enzymes host active sites inside protein macromolecules, which have diverse, often
incredibly complex, and atom-expensive structures. It is an outstanding question what the …

Nanoporous graphene and related atomically thin layered materials are promising
candidates in reverse electrodialysis research owing to their remarkable ionic conductivity …

Quantum chemical molecular modeling has become a standard tool in organometallic
chemistry. In particular, density functional theory calculations are now indispensable for …

Normal and surface-enhanced Raman spectra for a set of substituted benzenethiols were
measured experimentally and calculated from static polarizability derivatives determined …

We present a high-resolution distance dependence study of surface-enhanced Raman
scattering (SERS) enabled by atomic layer deposition (ALD) at 55 and 100° C. ALD is used …

Actinide diatomic molecules are ideal models to study elusive actinide multiple bonds, but
most of these diatomic molecules have so far only been studied in solid inert gas matrices …

We present an efficient computational protocol for robust transition state localization that can
be routinely applied to complex (organometallic) reactions. The capabilities of the …

Advances in tip-enhanced Raman spectroscopy (TERS) have demonstrated ultrahigh
spatial resolution so that the vibrational modes of individual molecules can be visualized …