X-ray absorption spectroscopy (XAS) is an electronic absorption technique for which the
initial state is a deeply buried core level. The photon energies corresponding to such …

We review the spectroscopic techniques and scattering experiments used to probe the
structure of water, and their interpretation using empirical and ab initio models, over the last …

The surfaces of aqueous solutions are traditionally viewed as devoid of inorganic ions.
Molecular simulations and surface-selective spectroscopic techniques show, however, that …

We describe an approach for characterizing selective binding between oppositely charged
ionic functional groups under biologically relevant conditions. Relative shifts in K-shell x-ray …

Abstract Knowledge of the acid dissociation constant of an amino acid has very important
ramifications in the biochemistry of proteins and lipid bilayers in aqueous environments …

We demonstrate the applicability of X-ray photoelectron spectroscopy to obtain charge-and
site-specific electronic structural information of biomolecules in aqueous solution. Changing …

Liquid-jet photoelectron spectroscopy (LJ-PES) and electronic-structure theory were
employed to investigate the chemical and structural properties of the amino acid l-proline in …

We present a formulation of molecular response theory for the description of a quantum
mechanical molecular system in the presence of a weak, monochromatic, linearly polarized …

The recent development of liquid jet and liquid leaf sample delivery systems allows for
accurate measurements of soft X-ray absorption spectra in transmission mode of solutes in a …