Water (H2O) is of great societal importance, and there has been a significant amount of
research on its fundamental properties and related physical phenomena. Deuterium dioxide …

Light and heavy water are often used interchangeably in spectroscopic experiments with the
tacit assumption that the structure of the investigated biomolecule does not depend too …

Lanthanide metal–organic framework (Ln-MOF) luminescent sensors monitoring the H2O
content in D2O are still rare. We designed and built a hydrophilic mixed Ln-MOF (Eu0. 4Tb0 …

Water models with realistic physical–chemical properties are essential to study a variety of
biomedical processes or engineering technologies involving molecules or nanomaterials …

In view of the current situation in which the OD-stretch vibrational spectra have been
scarcely computed with non-polarizable rigid D 2 O models, we investigate the IR and …

In molecular dynamics (MD) simulations of water, rigid non-polarizable models are still
valuable and widely used because of their low computational cost and excellent …

Using the lattice dynamics method, a simple three-point model of heavy water has been
proposed by optimizing thermal expansion and the melting temperature of deuterated …

Path integral based methods to approximately include quantum mechanical effects in the
motion of nuclei have thus far appeared insufficient to describe the thermal conductivity of a …

И Д И 1РЕ 2Р И И Д Е И Й К ў Й И ННБК И Й Р2Ч 2ЧИ Й К И И Й Н℄К И Й И Й И О℄К Й
Page 1 И НН И К И К ПНП ПН Љ ОМОО К НМ ўК К § И К ўК 1)И К К И К К § И К К К ќКўК ќ …

Force field molecular dynamics methods are nowadays commonly used to study molecular
interactions in many scientific fields. The accuracy of force fields has been improving over …