Among a wide range of noncovalent interactions, hydrogen (H) bonds are well known for
their specific roles in various chemical and biological phenomena. When describing …

The characteristics of the pnicogen bond are explored using a variety of quantum chemical
techniques. In particular, this interaction is compared with its halogen and chalcogen bond …

We provide a simple explanation for X− H bond contraction and the associated blue shift
and decrease of intensity in IR spectrum of the so-called improper hydrogen bonds. This …

Different methods of estimating H‐bond strength are presented. The studies are based on
the results of MP2/6–311++ G** calculations and the binding energies are corrected for the …

Carbon-oxygen (CH··· O) hydrogen bonding represents an unusual category of molecular
interactions first documented in biological structures over 4 decades ago. Although CH··· O …

Ab initio calculations are used to compare the abilities of the aromatic groups of the Phe, Tyr,
Trp, and His amino acids (modeled respectively by benzene, phenol, indole, and imidazole) …

Understanding the fundamental principles for the design of CO2-philic materials is of
growing importance due to the potential for enabling “green” chemistry and technologies in …

The OH covalent bond of conventional hydrogen bonds of the OH⊙⊙⊙ O type undergoes a
lengthening as a result of the complex formation, and the OH stretching frequency shifts to …

In the infrared spectra of solutions in liquid argon of dimethyl ether ((CH3) 2O) and
fluoroform (HCF3), bands due to a 1: 1 complex between these monomers have been …

Although the peptide C α H group has historically not been thought to form hydrogen bonds
within proteins, ab initio quantum calculations show it to be a potent proton donor. Its binding …