A nitrate ion (⁠ NO 3−⁠) with its trigonal planar geometry and charges distributed among
nitrogen and oxygen atoms can couple to the extensive hydrogen bond network of water to …

Ligand exchange plays an important role for organic and inorganic chemical reactions. We
demonstrate the existence of a novel water exchange mechanism, the “proton transfer …

We have performed molecular dynamics (MD) simulations to explore the structure and
dynamics of the ionic solvation shells of alkali ions and halide ions in aqueous solution …

In the present work, precise radial distribution function (RDF) of cesium metaborate solutions
with salt-water molar ratio of 1: 25, 1: 30 and 1: 35 in large scattering vector range (3.91 …

We have performed a series of constrained molecular dynamics simulations to study the ion-
pair solvation of alkali metal chlorides (Li+ Cl−, Na+ Cl−, K+ Cl− and Cs+ Cl−) in dimethyl …

The literature data on various methods for studying structural characteristics of the Li+ ion
close environment in a number of oxygen-containing solvents were generalized. The …

Neutron diffraction measurements have been carried out on 10 mol% LiTFSA (TFSA: bis
(trifluoromethylsulfonil) amide) solutions in methanol-d 4 and 2-propanol-d 8 to obtain …

Обобщенылитературныеданныеразличн… ближнего окружения иона Li+ в ряде
кислородсодержащих растворителей. Обсуждены координационные числа катиона …

The structures of microsolvated (LiI) 2−(H 2 O) n (n= 0–6) clusters and their corresponding
neutrals were determined using ab initio calculations. One Li-I distance in (LiI) 2−(H 2 O) n …

The molecular dynamic simulations have been performed to study the lactic acid aqueous
solution of varying concentrations at 298K. The aim of this investigation is to give an …