Many carbohydrate-binding proteins contain aromatic amino acid residues in their binding
sites. These residues interact with carbohydrates in a stacking geometry via CH/π …

Plant cell walls constitute the majority of lignocellulosic biomass and serve as a renewable
resource of biomaterials and biofuel. Extensive interactions between polysaccharides and …

Recent gas phase measurements and high level ab initio calculations of the CH/π
interactions show that the nature of the CH/π interactions is significantly different from …

The CH/π hydrogen bond is an attractive molecular force occurring between a soft acid and
a soft base. Contribution from the dispersion energy is important in typical cases where …

Noncovalent interactions involving aromatic rings, which include π-stacking interactions,
anion-π interactions, and XH− π interactions, among others, are ubiquitous in chemical and …

We assessed the accuracy of the four members of the M06 family of functionals (M06-L,
M06, M06-2X, and M06-HF) for the prediction of electronic excitation energies of main-group …

We present a comparative assessment of the accuracy of two different approaches for
evaluating dispersion interactions: interatomic pairwise corrections and semiempirical meta …

Abstract An organic compound 1-butyl-3-methylimidazolium phosphate dibutyl ester salt
(BD) is studied for the first time to effectively inhibit zinc corrosion and the formation of zinc …

Four hundred twenty-eight high-resolution DNA–protein complexes were chosen for a
bioinformatics study. Although 164 crystal structures (38% of those searched) contained no …

Non‐covalent interactions with aromatic rings pervade modern chemical research. The
strength and orientation of these interactions can be tuned and controlled through …