" Chemists familiar with conventional quantum mechanics will applaud and benefit greatly
from this particularly instructive, thorough and clearly written exposition of density functional …

The theory of intermolecular forces has advanced very greatly in recent years. It has become
possible to carry out accurate calculations of intermolecular forces for molecules of useful …

Three novel cationic gemini surfactants were synthesized and their effect on the corrosion of
carbon steel in 15% HCl solution was investigated using weight loss, electrochemical …

Phytochromes are sensory photoreceptors that, upon light irradiation, can be transformed
between an inactive and an active state. The conversion is initiated by the …

Up till now, there has been a significant disagreement between theory and experiment
regarding hydrogen bond lengths in Watson− Crick base pairs. To investigate the possible …

We challenge the view that the hydrogen bonds in Watson–Crick AT and GC base pairs are
in essence electrostatic interactions with substantial resonance assistance from the π …

Resonant two-photon ionization, ultraviolet hole-burning, and resonant ion-dip infrared
(RIDIR) spectroscopy were used to assign and characterize the hydrogen-bonding topology …

Hydrogen bonding between water and a series of small organic molecules was examined
via electronic structure calculations. Several computational methods were examined …

Ultrafine particulate matters (PMs) are an imminent threat to the human respiratory system,
as their sizes are comparable to and even smaller than human tissues. To cope with this …

NIMA-related kinase7 (NEK7) plays a multifunctional role in cell division and NLRP3
inflammasone activation. A typical expression or any mutation in the genetic makeup of …