Search
Now showing items 11-20 of 102
Two empirical formulae for estimating standard entropy of inorganic ionic solids and a possible connection between two associated electronic structure principles
(Elsevier, 2021)
Two empirical formulae for estimating the standard entropies of some inorganic ionic solids are proposed.
Linear relations are suggested between the standard entropy and the cube root of the formula unit
volume as well ...
Could boron-containing compounds (BCCs) be effective against SARS-CoV-2 as anti-viral agent?
(2021)
BACKGROUND: Seven dioxaborole compounds are investigated in this study. Structural and spectral
characterizations are done at the M062X/6-31+G(d,p) level in water. Active sites of these compounds are
determined by contour ...
Investigations substituent effect on structural, spectral and optical properties of phenylboronic acids
(2021)
Ortho- and para-substituent arylboronic acid are investigated. Geometric structure and structural proper- ties of these compounds are done. IR and NMR spectrum are calculated for the spectral characterizations. Contour ...
A combined molecular dynamic simulation, DFT calculations, and experimental study of the eriochrome black T dye adsorption onto chitosan in aqueous solutions
(Elsevier, 2021)
This study aims to evaluate and understand the adsorption of eriochrome black T (EB) by chitosan extracted from
local shrimp shells under different experimental conditions. Chitosan samples were characterized by XRD, ...
Hydroxy phenyl hydrazides and their role as corrosion impeding agent: A detail experimental and theoretical study
(Elsevier, 2021)
This study presents synthesis of environmentally benign corrosion inhibitors, hydroxy acetophenone derivative
namely, N′-(1-(2-hydroxyphenyl) ethylidene) acetohydrazide (ATOH), N′-(1-(2-hydroxyphenyl) ethylidene)
benzohydrazide ...
Anticorrosive and antioxidant effect of the aqueous extract of the leaves, flowers, and stems of Cistus monspeliensis L: Experimental and computational study
(Elsevier, 2021)
The objective of this study is to contribute to the promotion of Cistusmonspeliensis L (CM) plant as a green inhibitor
of mild steel in a hydrochloric acid solution that behaves as a source for ecological guarantee high ...
Could boron compounds be effective against SARS-CoV-2?
(2021)
BACKGROUND: Seven dioxaborole compounds are investigated in this study. Structural and spectral
characterization is done at M062X/6-31+G(d,p) level in the water. Active sites of these compounds are
determined using ...
Watt-level and sub-100-fs self-starting mode-locked 2.4-µm Cr:ZnS oscillator enabled by GaSb-SESAMs
(09/02/2021)
Femtosecond lasers with high peak power at wavelengths above 2 µm are of high interest for generating mid-infrared (mid-IR) broadband coherent light for spectroscopic applications. Cr2+-doped ZnS/ZnSe solid-state lasers ...
Experimental and in silico studies of dichloro- tetrakis (1H-pyrazole)-cobalt(II): Structural description, photoluminescent behavior and molecular docking
(2021)
A novel pyrazole-based Co(II) complex, namely dichloro-tetrakis(1H-pyrazole)-cobalt(II), was synthesized
and characterized. Its X-ray crystal structure showed that it crystallizes in the monoclinic C 2/ c space
group ...
High average output power from a backside-cooled 2-µm InGaSb VECSEL with full gain characterization
(22/11/2021)
We compare the gain and continuous wave lasing properties of two InGaSb-based vertical external cavity surface emitting lasers (InGaSb VECSEL) with different heat management approaches operating at a center wavelength of ...