Search
CSV
RISActivation energies for chain growth propagation and termination in Fischer-Tropsch synthesis on iron catalyst as a function of catalyst particle size
The influence of the catalyst particle size in determining Fischer-Tropsch synthesis (FTS) performance for nano-structured iron catalysts was investigated. The catalysts prepared by microemulsion method and to achieve a ...
Vibrational spectra of tris(acetylacetonato)chromium(III)
The molecular structure and vibrational spectra of tris(acetylacetonato)chromium(III), Cr (AA)3, its
mono-deuterated, Cr (DAA)3, and per-deuterated analogous, Cr(D7AA)3, were investigated using density functional ...
Tautomerism, conformational analysis, and spectroscopy studies of 3-bromo-pentane-2,4-dione
Molecular structures of the stable conformers of cis-enol and keto forms of 3-bromo-pentane-2,4-dione (α-bromo-acetylacetone, BrAA) have been investigated by means of Density Functional Theory (DFT) calculations and the ...
Vibrational spectra of a-bromo and a-chloro derivatives of tris(acetylacetonato)chromium(III
acetylacetonato)
chromium(III), Cr(ClAA)3 and Cr(BrAA)3, were investigated using the density functional theory
(DFT) calculations. The geometrical parameters and harmonic vibrational wavenumbers of the ...
Detection devices for explosives in environments: A review
In recent years, as a whole the international situation is stable, whereas local war still going on. Since the terrible incident taking place in America on September 11, 2001, necessary measures have been taken in various ...
Adsorption of CCl4 on Armchair Single-Walled Carbon Nanotubes and Graphene Sheet
Our consideration showed that Graph can trap CCl4 more effectively comparing to SWCNT. Contrary to curved SWCNTs, the planar graphene sheet has higher interaction energy with toxicants owing to the availability of larger ...
Intrinsic kinetics of Fischer–Tropsch synthesis over Co/CNTs catalyst: Effects of metallic cobalt particle size
The influence of the average particle size of cobalt nanoparticles on the kinetics parameters of Fischer–Tropsch synthesis (FTS) were investigated over carbon nanotubes (CNTs) supported cobalt catalysts. Five Co/CNTs ...
Structure and conformation of lidocaine and Prilocaine. A DFT study
Local anesthetics like lidocaine (N-(2,6-dimethylphenyl)-N2,N2-diethylglycinamide) and pirlocaine ((RS) N-(2-methylphenyl)Npropylalaninamide) are amide local anesthetic and lidocaine is used topically to relieve itching, ...