The interaction strength of intermolecular systems formed by NaH⋯2(HF) and NaH⋯4(HF): Hydrogen bonds, dihydrogen bonds and halogen–hydride bonds

Strength of hydrogen bonds in helices

> < ABSTRACT: The intramolecular helix backbone C O H— N hydrogen Ž . bonding energies in poly L-alanine a helices have been estimated both in vacuum and in an aqueous environment using the parameter sets of five of the most commonly used force fields for modeling biomolecules, namely AMBER, CHARMM, ECEPP, GROMOS, and OPLS. The relative capabilities of these force fields in describing the H-bon...

Dihydrogen bonds in solid BH3NH3.

Hydrogen Bonds

Designing ternary cocrystals with hydrogen bonds and halogen bonds.

A graded selection of hydrogen bonds and halogen bonds allows for the isolation of 2 : 1 : 1 ternary cocrystals of the general form 4-nitrobenzamide : diacid : 1,4-dihalogenated benzene, which are mediated by the amide-acid and I···O2N supramolecular synthons.

Competing Intramolecular vs. Intermolecular Hydrogen Bonds in Solution

A hydrogen bond for a local-minimum-energy structure can be identified according to the definition of the International Union of Pure and Applied Chemistry (IUPAC recommendation 2011) or by finding a special bond critical point on the density map of the structure in the framework of the atoms-in-molecules theory. Nonetheless, a given structural conformation may be simply favored by electrostati...