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Crystal structure and theoretical studies of the keto-enol isomerism of N,N '-bis(salicylidene)-o-phenylenediamine (salophen)
(Pergamon-elsevier Science LtdOxfordInglaterra, 2012)
A silver complex with ibuprofen: Synthesis, solid state characterization, DFT calculations and antibacterial assays
(Elsevier Science BvAmsterdamHolanda, 2013)
The infrared intensities and polar tensors of the fluorochloromethanes
(Pergamon-elsevier Science LtdOxfordInglaterra, 2001)
Interaction of supported ionic liquids phases onto copper nanoparticles: A DFT study
(Elsevier, 2020-07-15)
The interaction between Supported Ionic Liquids Phases (SILPs) based on triazole and copper nanoparticles was investigated using density functional theory calculations. Three triazolium cations (T1(+), T2(+), and T3(+)) ...
Chemical, spectroscopic characterization, DFT studies and antibacterial activities in vitro of a new gold(I) complex with rimantadine
(Pergamon-elsevier Science LtdOxfordInglaterra, 2012)
Chiral magnetic chemical bonds in molecular states of impurities in Weyl semimetals
(2019-12-01)
We demonstrate that chirality of the electron scattering in Weyl semimetals leads to the formation of magnetic chemical bonds for molecular states of a pair of impurities. The effect is associated with the presence of ...
Conformational isomerism and electronic interactions in some alpha-aminoketones
(Elsevier Science BvAmsterdamHolanda, 2006)
Systematic sequences of geometric relativistic basis sets. I: s- and p-block elements up to Xe
(SpringerNew YorkEUA, 2006)
Silver(I) complexes with symmetrical Schiff bases: Synthesis, structural characterization, DFT studies and antimycobacterial assays
(Pergamon-elsevier Science LtdOxfordInglaterra, 2013)