Oxygen (O), hydrogen (H), carbon (C), and nitrogen (N) are the most common elements
found in organic and biological molecules. Among these four elements, oxygen occupies a …

In the present work, we have studied the drug delivery performance of the functionalized (5,
5) single-walled carbon nanotube with a carboxylic acid group for Flutamide anticancer drug …

During the past decade 170 NMR spectroscopy has become an increasingly important
method for studying structure, conformation, and electronic distribution in organic molecules …

We find that formic acid (FA) is very effective at facilitating diol formation through its ability to
reduce the barrier for the formaldehyde (HCHO) hydrolysis reaction. The rate limiting step in …

Atomic scale properties of quadrupole coupling constants (CQ) have been evaluated for
singular and paired 5-fluorouracil (FU) models. Structural possibilities and properties for …

The quadrupole coupling constant and asymmetry parameter for the deuteron in liquid
heavy water was determined using purely theoretical methods. Molecular‐dynamics …

We have presented a systematic experimental and theoretical investigation of the carbonyl
oxygen electric-field-gradient (EFG) tensor and chemical shielding (CS) tensor in crystalline …

A layered crystalline phosphate α-Sn (HPO4) 2· H2O (1), prepared and characterized in the
present study by the multinuclear solid-state nuclear magnetic resonance (NMR), powder X …

We report the first experimental determination of the carbonyl 17O electric-field-gradient
(EFG) tensor and chemical-shift (CS) tensor of a urea-type functional group, R1NH C (O) …

The site of ionization (protonation and deprotonation) of hydroxamic acids (RCONHOH) has
been investigated by heteronuclear (14N, 15N, 170) NMR relaxation and NOE experiments …