We report on the homeotropic alignment of lyotropic chromonic liquid crystals (LCLCs). Homeotropic anchoring of LCLCs is difficult to achieve, and this challenge has limited development of applications for LCLCs. In this work, homeotropic alignment is achieved using noncovalent interactions between the LCLC molecules and various alignment layers including graphene, parylene films, poly(methyl m...

Noncovalent interactions play an important role in many biological and chemical processes. Among these, hydrogen bonding is very well studied and is already routinely used in organocatalysis. This Short Review focuses on three other types of promising noncovalent interactions. Halogen bonding, chalcogen bonding, and anion-π bonding have been introduced into organocatalysis in the last few years...

Noncovalent interactions play a significant role in a wide variety of biological processes and bio-inspired species. It is, therefore, important to have at hand suitable computational methods for their investigation. In this paper, we report on the contribution of dispersion and hydrogen bonds in both stacked and T-shaped catechol dimers, with the aim of delineating the respective role of these...

Abstract Noncovalent interactions are an integral part of the modern catalysis toolbox. Although stronger noncovalent such as hydrogen bonding commonly main driving force catalysis, π–π typically provide smaller additional stabilizations, for example, to afford selectivity enhancements. Here, it is shown computationally that pristine graphene flakes may efficiently catalyze skeletal inversions ...

Biochemistry and structural biology have benefited tremendously from the development of electrospray ionization matrix-assisted laser desorption/ionization, two most important soft methods used in modern mass spectrometry. Of importance this context is that noncovalently bound complexes can be maintained gas phase using appropriate sample preparation conditions instrumental settings ESI-MS MALD...

In the present paper, we report quantitative evaluation of electron density shift (EDS) maps within different complexes. Values associated with total EDS exhibited good correlation quantities such as interaction energies, Eint, intermolecular distances, bond critical points, and LMOEDA energy decomposition terms. Besides, at cutoffs were also evaluated related energies values. Finally, their co...

The 14 Minnesota density functionals published between the years 2005 and early 2016 are benchmarked on a comprehensive database of 4986 data points (84 data sets) involving molecules composed of main-group elements. The database includes noncovalent interactions, isomerization energies, thermochemistry, and barrier heights, as well as equilibrium bond lengths and equilibrium binding energies o...