The gauche conformer in 1-X, 2-Y-disubstituted ethanes, that is, the staggered orientation in
which X and Y are in closer contact, is only favored for relatively small substituents that do …

The idea that hydrogen bond cooperativity is responsible for the structure and reactivity of
carbohydrates is examined. Density functional theory and gauge‐including atomic orbital …

The conformational behavior of cyclic monosaccharides has been widely studied over the
past years, but there is no general agreement about which effects are in fact responsible for …

Density functional theory calculations are used to compute proton nuclear magnetic
resonance (NMR) chemical shifts, interatomic distances, atom–atom interaction energies …

Proton nuclear magnetic resonance chemical shifts and atom–atom interaction energies for
alkanepolyols with 1, 2‐diol and 1, 3‐diol repeat units, and for their 1: 1 pyridine complexes …

Rotational spectra of 3-mercaptopropionic acid (3-mpa) were measured from 6 to 18 GHz
using chirped pulse and cavity-based Fourier transform microwave (FTMW) spectroscopy …

The ground state rotational spectrum of 2-fluoroaniline was investigated using Fourier
transform microwave spectroscopy in the 6-19 GHz range. The spectrum reveals hyperfine …

Conformational analyses of β-fluorinated organophosphorus compounds were theoretically
carried out to probe the role of a possible fluorine–phosphorus gauche effect in conformer …

The understanding of the conformational behavior of amino acids and their derivatives is a
challenging task. Here, the conformational analysis of esterified and N-acetylated …

A corona, consisting of 18 carbon atoms bearing 12 hydroxy groups in a continuous
hydrogen‐bonded chain, is built up by alternating degenerate conformations of alternating …