Combining laser desorption with a supersonic expansion together with the selectivity of
IR/UV double resonance spectroscopy makes it possible to isolate and characterise the gas …

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 …

Abstract Computational modeling involving Quantum Mechanics (QM) and Molecular
Mechanics (MM) calculations are widely utilized to unveil the atomic‐molecular properties …

Femtosecond two-dimensional infrared (2D IR) spectroscopy has been applied to study the
conformations of a model dipeptide, N-acetyl-l-prolinamide (AcProNH2) in deuterated …

The results of the ring conformational analysis of l-proline, N-acetyl-l-proline, and trans-4-
hydroxy-l-proline by NMR combined with calculations using density functional theory (DFT) …

Mid-infrared (IR) hole burning spectra of the model tripeptide Z-Aib-Pro-NHMe (Z=
benzyloxycarbonyl) in gas phase and its micro-clusters with one and two methanol …

DFT calculations at the B3LYP/6-31+ G (d, p) level have been used to investigate how the
replacement of the α hydrogen by a more sterically demanding group affects the …

We present near-and mid-infrared− UV double resonance spectra of the natural dipeptide
H− Pro-Trp− OH. Two conformers are present in the supersonic expansion: a stretched …

The small peptide derived from proline, N‐acetyl‐prolinamide (Ac‐Pro‐NH2), has been
investigated using a combination of Fourier transform microwave spectroscopy with laser …

The intrinsic conformational preferences of proline analogues having double bonds
between carbon atoms in their rings have been investigated using quantum mechanical …