The anion of pyridine, C5H5N−, has been thought to be short lived in the gas phase and
was only previously observed indirectly. In the condensed phase, C5H5N− is known to be …

Ab initio calculations predict that pyridine (Py) can act as a photo-catalyst to split water by
the absorption of a UV photon following the reaction Py–H2O+ hν→ PyH˙+ OH˙. To test this …

Proton transfer is regarded as a fundamental process in chemical reactions of DNA
molecules and continues to be an active research theme due to the connection with charge …

7, 8-Dihydro-8-oxoguanine (8-oxoG) has attracted considerable attention from analysts
because it is collected with GC→ TA transversions in DNA replication; especially, due to the …

We report the structural evolutions of water networks and solvatochromic response of the
CH3NO2–radical anion in the OH and CH stretching regions by analysis of the vibrational …

The blue shifting of vibrational frequencies in hydrogen bonded molecules, as observed in
aqueous environments, has been attributed to local partial charge transfer from solvation …

Two new aromatic pyrimidine-based derivatives designed specifically for halogen bond
directed self-assembly are investigated through a combination of high-resolution Raman …

The equation-of-motion method is used to map out one-dimensional potentials for proton-
coupled electron transfer in the [pyridine·(H 2 O) n]−, n= 3, 4, clusters. In both cases there is …

Two new aromatic pyrimidine-based derivatives designed specifically for halogen bond
directed self-assembly are investigated through a combination of high-resolution Raman …

In this work I employ quantum and mixed quantum mechanical/molecular mechanical
techniques to describe proton transfer in solvated molecular ions. I explore the role of …