Results 41 to 50 of about 39,725 (197)

Structure and energetics of trivalent metal halides [PDF]

open access: yes, 1999
Metal trihalide (MX3) systems represent a stern challenge in terms of constructing transferable potential models. Starting from a previously published set of potentials, 'extended' ionic models are developed which, at the outset, include only anion ...
Hutchinson, Francis.   +2 more
core   +1 more source

Synthesis and Antimicrobial Activity of Some New Pyrazoles, Fused Pyrazolo[3,4-d]-pyrimidine and 1,2-Dihydroimidazo-[2,1-c][1,2,4]triazin-6-one Derivatives

open access: yesMolecules, 2011
A novel series of 7,7-diphenyl-1,2-dihydroimidazo[2,1-c][1,2,4]triazin-6(7H)-one 6a–h, were easily prepared via reactions of novel 2-hydrazinyl-4,4-diphenyl-1H-imidazol-5(4H)-one (2) with hydrazonoyl halides 3a–h.
Huwaida M.E. Hassaneen   +1 more
doaj   +1 more source

Synthesis and tautomerism of aryl- and hetaryl-azo derivatives of bi- and tri-heterocycles

open access: yesJournal of Advanced Research, 2010
This review summarizes results from the literature concerning synthesis and azo-hydrazone tautomerism of arylazo- and hetarylazo-derivatives of various bi- and tri-heterocycles reported by us and other research groups from 1981 to mid 2009.
Ahmad S. Shawali
doaj   +1 more source

Synthesis of 1,3,4-Thiadiazole Derivatives Using Hydrazonoyl Bromide: Molecular Docking and Computational Studies

open access: yes, 2022
Alkyl phenylcarbamodithioates were reacted with hydrazonoyl bromide 1a, b in ethanol containing a catalytic amount of triethylamine solution to afford and 1,3,4-thiadiazole derevatives 5a, b, respectively.
Abdou O. Abdelhamid (3827101)   +3 more
core   +1 more source

BHAS Coupling of Aryl Halides to Arenes Facilitated by Nickel Complexes [PDF]

open access: yes, 2023
Aryl halides are efficiently coupled to benzene using air-stable Ni(COD)(DQ) (COD = 1,5-cyclooctadiene, DQ = duroquinone) and KOtBu, without additional ligands. Mechanistic evidence suggests that Ni(COD)(DQ) and KOtBu act as an initiation source, forming
John, Murphy   +2 more
core   +2 more sources

Phase-Transferable Force Field for Alkali Halides [PDF]

open access: yes, 2018
A longstanding goal of computational chemistry is to predict the state of materials in all phases with a single model. This is particularly relevant for materials that are difficult or dangerous to handle or compounds that have not yet been created ...
Paul J., van Maaren   +3 more
core   +2 more sources

1,3,4-Thiadiazoles of pharmacological interest: Recent trends in their synthesis via tandem 1,3-dipolar cycloaddition: Review

open access: yesJournal of Advanced Research, 2014
This review article presents a survey of the utility of a new synthetic strategy for 1,3,4-thiadiazole derivatives based on reactions of nitrilimines with various functionalized sulfur dipolarophiles which proceed via tandem in situ 1,3-dipolar ...
Ahmad S. Shawali
doaj   +1 more source

Synthesis, Molecular Docking Study, and Cytotoxic Activity against MCF Cells of New Thiazole–Thiophene Scaffolds

open access: yesMolecules, 2022
Investigating novel compounds that may be useful in designing new, less toxic, selective, and potent breast anticancer agents is still the main challenge for medicinal chemists.
Sobhi M. Gomha   +4 more
doaj   +1 more source

Unexpected Nickel Complex Speciation Unlocks Alternative Pathways for the Reactions of Alkyl Halides with dppf-Nickel(0) [PDF]

open access: yes, 2020
The mechanism of the reactions between dppf-Ni0 complexes and alkyl halides has been investigated using kinetic and mechanistic experiments and DFT calculations.
Guy, Lloyd-Jones   +5 more
core   +2 more sources

Synthesis and Antimicrobial Activity of Some New 1,3,4-Thiadiazole Derivatives

open access: yesMolecules, 2012
New series of 1,3,4-thiadiazoles have been prepared via reaction of 1,3,4-thiadiazolenaminones 1 with N-phenyl 2-oxopropanehydrazonoyl chloride (2) in dioxane in the presence of triethylamine.
Mohamed R. Abdel Aziz   +2 more
doaj   +1 more source

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