We developed a systematic polarizable force field for molten trivalent rare-earth chlorides,
from lanthanum to europium, based on first-principle calculations. The proposed model was …

A diluted solution of Ce (NO3) 3 in the protic ionic liquid (IL) ethylammonium nitrate (EAN)
was investigated using molecular dynamics (MD) simulations and extended X‐ray …

Phonon detector can be designed by using colloidal silver nanoparticle (Ag NP) in presence
of 1-Ethyl-3-methylimidazolium Hexafluorophosphate [EMim][PF6] ionic liquid (IL) via …

Structural Parameters of the Solvate Environment of Metal Ions in Dimethylsulfoxide |
Journal of Structural Chemistry Skip to main content SpringerLink Account Menu Find a …

Metal halide perovskites have rapidly evolved into an efficient, low-cost alternative to
conventional photovoltaic materials. Devices with power conversion efficiencies over 20 …

We have studied the solvation of Th4+ in water, in dimethyl sulfoxide (DMSO), and in their
equimolar mixture by using molecular dynamics based on an Amoeba-derived polarizable …

By using molecular dynamics based on a custom polarizable force field, we have studied the
solvation of La 3+ in an equimolar mixture of dimethylsulfoxide (DMSO) with water. An …

By using accurate density functional theory calculations, we have studied the complexes of
Th4+ with dimethyl-sulfoxide (DMSO) and dimethyl-formammide (DMF) molecules. These …

In this work a detailed investigation of the structural organization of ILs, both monocationic
and dicationic, and their water mixtures has been carried out by combining XAS …

На основании анализа литературной информации приведены количественные
характеристики структуры ближнего окружения ионов металлов в …