Search
نمایش تعداد 1-9 از 9
Active C-H bond and rational of the anion-cation structural pattern in the ionic liquids 1-alkyl-3-methylimidazolium Chloride
سال: 2010
خلاصه:
The effect of alkyl chain length, methyl to octyl, on the strength of the interaction of anion with the cation in 1-alkyl-3-methylimidazolium chlorides has been studied by ab initio quantum mechanical calculation at ...
A Comprehensive Study of the Solvent Effects on the Cycloaddition Reaction of Diethyl Azodicarboxylate and Ethyl Vinyl Ether: Efficient Implementation of QM and TD-DFT Study
سال: 2015
خلاصه:
In this work, quantum chemistry calculations performed to study the kinetics and thermodynamic parameters of [212]cycloaddition reaction of diethyl azodicarboxylate and ethyl vinyl ether in eighty-three solvents and gas ...
HOMO-LUMO Energy and NBO Analysis on Chemical Reactivity Description of Some Derivatives of 1-Pyrazolines
سال: 2012
خلاصه:
The energy gaps are largely responsible for the chemical and spectroscopic properties of the molecules. LUMO–HOMO energy gap in gaseous phase is accordance to R1>R3>R2. These trend is accordance to experimental ...
Performance of adjustable speed drives subject to regular voltage fluctuations
ناشر: IEEE
سال: 2014
Fibroblast Cell Morphology Altered by Low-Temperature Atmospheric Pressure Plasma
ناشر: IEEE
سال: 2014