Combined IR and UV laser spectroscopic techniques in molecular beams merged with
theoretical approaches have proven to be an ideal tool to elucidate intrinsic structural …

This chapter examines the structural characterisation of isolated neutral amino-acids and
peptides. After a presentation of the experimental and theoretical state-of-the-art in the field …

The valence and core level photoelectron spectra of glycine, proline, and methionine in the
gas phase have been investigated by VUV and soft X-ray radiation. The outer valence band …

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 …

The valence shell photoionization of the simplest proteinaceous chiral amino acid, alanine,
is investigated over the vacuum ultraviolet region from its ionization threshold up to 18 eV …

The vertical ionization energies of the low-lying conformers of the α-amino acids found in
proteins have been calculated. Geometry optimizations were first performed at the B3LYP/6 …

The gas phase photoabsorption spectra of glycine, methionine and proline have been
measured at the carbon, nitrogen and oxygen K edges, and spectra have been calculated at …

The proton affinities of the 20 common amino acids have been computed at the G3MP2 level
using structures derived from broad conformational searches at a variety of levels including …

The adsorption of alanine on Cu {110} was studied by a combination of near edge X-ray
absorption fine structure (NEXAFS) spectroscopy, X-ray photoelectron spectroscopy (XPS) …

Core level X-ray photoemission spectra (XPS) and near edge X-ray absorption fine structure
(NEXAFS) spectra of alanine and threonine in the gas phase have been measured at the …