Results 41 to 50 of about 300,019 (196)

Quantum model of Hammett and two-parameter Taft equation. Semiempirical INDO calculations of the σ-constants

open access: yes, 1993
The Hammett equation and two-parameter Taft equation are formulated using Rayleigh-Schrödinger perturbational method. The electronic structures of PhS compounds are found for several S substituents by application of INDO quantum method.
W Pietrzycki, P Tomasik
core   +1 more source

chemspacelab/Enhanced-Hammett: Enhanced_Hammett

open access: yes, 2020
Small python library with the implementation of the Enhanced-Hammett ...
MarcoBrag
core   +1 more source

Synthesis of some substituted pyrazole-1- carbothioamides and spectral correlations in 3-(2,4-dibromophenyl)-5-(substituted phenyl)-4,5-dihydro-1H-pyrazole-1- carbothioamides [PDF]

open access: yesQScience Connect, 2013
Background: This study aims to synthesise a series of 1-thiocarbomyl pyrazolines, including 3-(2,4-dibromophenyl)-5-(substituted phenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamides, using solvent-free fly-ash:PTS catalyzed cyclization between chalcones and
G. Thirunarayanan, K. G.Sekar
doaj   +1 more source

Complementary Eigen–Zundel Interpretation Reconciles Thermodynamics and Spectroscopy of Excess Protons in Aqueous HF Solutions

open access: yesAngewandte Chemie International Edition, EarlyView.
Aqueous solutions of HF and HCl show contrasting dissociation in water, yet exhibit nearly identical excess‐proton spectra. This puzzling observation is reconciled by a complementary Eigen–Zundel interpretation. ABSTRACT Aqueous solutions of HF and HCl behave very differently at intermediate concentrations: HCl dissociates completely, whereas HFonly ...
Louis Lehmann   +6 more
wiley   +1 more source

Extending the Hammett correlation to mechanochemical reactions

open access: yes, 2023
Using Raman in situ monitoring and mechanochemistry-specific kinetic analysis, we find a correlation between the reaction probability and the Hammett constants in a model mechanochemical reaction of imine formation, indicating that the body of knowledge ...
Carta M.   +7 more
core   +1 more source

Protonation of maleic and fumaric acid in aqueous sulfuric acid solutions [PDF]

open access: yesJournal of the Serbian Chemical Society, 2000
The protonations of maleic and fumaric acid in an acidic medium (aqueous solutions of sulfuric acid) were followed spectrophotometrically at room temperature. The acid-base equilibria were characterised qualitatively and quantitatively. The pKBH+
Jankovska Katica   +2 more
doaj   +3 more sources

SOCl2 catalyzed cyclization of chalcones: Synthesis and spectral studies of some bio-potent 1H pyrazoles

open access: yesBulletin of the Chemical Society of Ethiopia, 2014
Some aryl-aryl 1H pyrazoles have been synthesised by cyclization of aryl chalcones and hydrazine hydrate in the presence of SOCl2. The yields of the pyrazoles are more than 85%.
K. Ranganathan   +5 more
doaj   +1 more source

Click‐to‐Release Reactivity of Quaternary Anilinium Tetrazines Enables Cascade Assembly of Multifunctional Biomolecular Scaffolds

open access: yesAngewandte Chemie International Edition, EarlyView.
Click chemistry has evolved from making covalent connections to also breaking bonds. Here, a cascade assembly is reported that combines these maneuvers to build multifunctional biomolecular scaffolds in a modular one‐pot reaction. The unifying azide release‐tetrazine hub clicks with a trans‐cyclooctene tag, rapidly liberates N,N‐dimethylaniline to ...
Markus Staudt   +9 more
wiley   +1 more source

Synthesis, spectral correlation and insect antifeedant activities of some 2-benzimidazole chalcones

open access: yesJournal of Saudi Chemical Society, 2016
Some substituted styryl 2-benzimidazole ketones have been synthesised by fly-ash:H2SO4 catalysed aldol condensation of 2-benzimidazole methyl ketone and various substituted benzaldehydes in microwave oven. The yields of these chalcones are more than 70%.
P. Janaki, K.G. Sekar, G. Thirunarayanan
doaj   +1 more source

Binding Constants of Substituted Benzoic Acids with Bovine Serum Albumin

open access: yesPharmaceuticals, 2020
Experimental data on the affinity of various substances to albumin are essential for the development of empirical models to predict plasma binding of drug candidates. Binding of 24 substituted benzoic acid anions to bovine serum albumin was studied using
Diliara Khaibrakhmanova   +2 more
doaj   +1 more source

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