Theoretical studies on dynamic properties and intermolecular interactions of 2,4-dinitroimidazole crystals with different impurity defects
Sign Up to like & getrecommendations! Published in 2024 at "CrystEngComm"
DOI: 10.1039/d3ce01307c
Abstract: Density functional tight binding (DFTB) method and DFTB-based molecular dynamics (DFTB-MD) simulations were used to study the structure, intermolecular interactions, and dynamic properties of 2,4-dinitroimidazole (2,4-DNI) crystals doped with different... read more here.
Keywords: dynamic properties; studies dynamic; interactions dinitroimidazole; intermolecular interactions ... See more keywords
Thermodynamic studies of dynamic metal ligands with copper(II), cobalt(II), zinc(II) and nickel(II)
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Coordination Chemistry"
DOI: 10.1080/00958972.2016.1262949
Abstract: Abstract The self-assembly of unsymmetrical metal ligands from simpler components circumvents complex synthetic approaches. We show herein how a recently developed three-component assembly to create tripicolylamine-like ligands can be extended to the use of azides… read more here.
Keywords: studies dynamic; dynamic metal; thermodynamic studies; ligands copper ... See more keywords