Peptides and proteins are naturally chiral molecular systems so that sensing their structure
and conformation with chirality-based spectral methods is an obvious and long-used …

Most of the research in contemporary physical chemistry is devoted to the development of
methods that extend our understanding, interpretation, and capacity to predict structural …

This book details chiroptical spectroscopic methods: electronic circular dichroism (ECD),
optical rotatory dispersion (ORD), vibrational circular dichroism (VCD), and vibrational …

In this chapter, new developments and main applications of vibrational circular dichroism
(VCD) spectroscopy reported in the last 5 years are described. This includes the …

This review focuses on the theoretical background of vibrational circular dichroism (VCD)
spectroscopy. Besides discussing the first‐principle approaches of the theoretical evaluation …

VCD research continues to thrive, driven by ongoing experimental and theoretical advances.
Modern studies deal with increasingly complex samples featuring weak intermolecular …

We present a structural data set of the 20 proteinogenic amino acids and their amino-
methylated and acetylated (capped) dipeptides. Different protonation states of the backbone …

Advanced vibrational spectroscopic experiments have reached a level of sophistication that
can only be matched by numerical simulations in order to provide an unequivocal analysis …

The structures, relative stabilities, and vibrational wavenumbers of the two most stable
conformers of serine, stabilized by the O–H··· N, O–H··· O═ C and N–H··· O–H intramolecular …

The dimer of trans-N-methylacetamide serves as a simple model for hydrogen bonds in
peptides, free of any backbone distortions. Its preferred structures represent benchmark …