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Active C-H bond and rational of the anion-cation structural pattern in the ionic liquids 1-alkyl-3-methylimidazolium Chloride
Year: 2010
Abstract:
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
Year: 2015
Abstract:
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
Year: 2012
Abstract:
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
Publisher: IEEE
Year: 2014
Optical and Glow Diagnostics of 13.56-MHz RF Plasma-PVDF Membrane Surface Interactions
Publisher: IEEE
Year: 2014
Fibroblast Cell Morphology Altered by Low-Temperature Atmospheric Pressure Plasma
Publisher: IEEE
Year: 2014
Multiscale algorithm for ship detection in mid, high and very high resolution optical imagery
Publisher: IEEE
Year: 2014