Physchem, Volume 3, Issue 2

We obtained thorough insight into the capabilities of various computational methods to account for the ligand field (LF) regime in lanthanide compounds, namely, a weakly perturbed ionic body and quasidegenerate orbital multiplets. The LF version of t...

The crystallization and distribution the features of Pt, Pd and Pt/Pd nanoparticles in spin-on glass SiO₂ films were studied within a wide range of the dopant concentrations in silica sol (from 10 to 80 mol.% Pt, Pd or Pt/Pd per 100 mol.% Si). The gr...

The flexible models of Novichok agents (A230, A232, and A234) from previous molecular dynamics simulations (MDSs) have been employed to create a parameter set for the Antoine equation of each of the three liquids. Furthermore, for the needs of this p...

Electrochemical properties of transition metal complexes are important parameters that should be considered for the successful application of these compounds in catalytic reactions. The proper choice of ligands and the type of its coordination allow...

The in situ characterization of catalysts provides important information on the catalyst and the understanding of its catalytic performance and selectivity for a specific reaction. Temperature programmed analyses (TPX) techniques for catalyst charact...

We have measured the Raman spectra of some oligothiophenes (bithiophene, terthiophene, quarterthiophene, sexithiophene and octithiophene) and polythiophene with wavelengths from 325–1064 nm (3.815–1.165 eV). All of the materials give good...