Results 61 to 70 of about 1,896 (172)

Combining Hammett σ constants for Δ-machine learning and catalyst discovery

Digital Discovery
We present a simple and fast linear model for discovering organometallic catalysts for the Suzuki–Miyaura cross-coupling reaction, using a combinatorial approach.
V. Diana Rakotonirina, Marco Bragato, Stefan Heinen, O. Anatole von Lilienfeld   +3 more
openaire   +3 more sources

Quantitative Analysis of Substituent Effects in Cu(II) and Co(II) Benzimidazole Complexes: Stability Constants Determined via Acetate-Mediated Synthesis and Benesi–Hildebrand Method Correlated with Hammett σ Parameters

Chemistry
This study presents a quantitative investigation of substituent effects on the stability of 1:2 complexes formed between para-substituted 2-phenylbenzimidazole ligands and Cu(II) or Co(II) ions.
Zoltán Köntös, Flóra Stedra, Viktória Ngo Hang   +2 more
doaj   +1 more source

Determination of protonation constants and structural correlations for some tertiary formamides and acetamides in sulfuric acid with UV spectroscopy

Macedonian Journal of Chemistry and Chemical Engineering, 2015
The protonation of ten aliphatic amides in sulfuric acid media was studied by UV spectroscopy. The pKBH+ values and solvation parameters were calculated using Yates and McClelland Method, Excess Acidity Method and Bunnett and Olsen Method.
Goran Stojković, Elizabeta Dimitrieska-Stojković, Emil Popovski   +2 more
doaj   +1 more source

Inter-Hammett: Enhancing Interpretability in Hammett's Constant Prediction via Extracting Rules

# Inter-Hammett: Enhancing Interpretability in Hammett’s Constant Prediction via Extracting Rules # Reference Implementation of Inter-POL algorithmThis readme file documents all of the required steps to run Inter-POL. Note that the code was implemented and tested on a Linux operating system only.
openaire   +2 more sources

Donor Strengths Determination of Pnictogen and Chalcogen Ligands by the Huynh Electronic Parameter and Its Correlation to Sigma Hammett Constants. [PDF]

Chemistry, 2019
Teng Q, Ng PS, Leung JN, Huynh HV.
europepmc   +1 more source

Eco-friendly Synthesis, Spectral Correlation Analysis, and Antimicrobial Activities of Substituted (E)-1-benzylidene-2-(3-nitrophenyl)hydrazines

Orbital: The Electronic Journal of Chemistry, 2016
In the present study, a series of ten substituted (E)-1-benzylidene-2-(3-nitrophenyl)hydrazine compounds have been synthesized by condensation of  3-nitrophenylhydrazine with various substituted benzaldehydes using SiO2-H3PO4 catalyst under solvent free
Murugan Rajarajan, Renganathan Vijayakumar, Selvaraj Balaji, Rajamohan Senbagam, Venkatesan Manikandan, Ganesan Vanangamudi, Ganesamoorthy Thirunarayanan   +6 more
doaj  

6,6'-Biazulenic core as a platform for unlocking Hammett constants <i>via</i> electrochemical free-energy relationships. [PDF]

RSC Adv
Mandigo JA, Kelsey SR, Applegate JC, Sabala RC, Dairo MK, Weghorn CR, Fair R, Berrie CL, Thompson WH, Janzen DE, Barybin MV.   +10 more
europepmc   +1 more source

Structure-Activity Relationships for 1,3-Dipolar Cycloaddition Reactions of Criegee Intermediates with Carbonyls. [PDF]

ACS Earth Space Chem
Cornwell ZA, Enders JJ, Ferris B, Murray C, Harrison AW.   +4 more
europepmc   +1 more source

The Nonadiabatic Nature of the Substituent Effects in Azobenzene. [PDF]

Angew Chem Int Ed Engl
van der Wal JJ, Peshkov RY, Steen JD, Simeth NA, Crespi S.   +4 more
europepmc   +1 more source

Strong Antiproliferative Activity Observed in Hammett-Guided Electronic Modulation of GPx-Mimetic Pathways in Aryl Selenoureas. [PDF]

Int J Mol Sci
Begines P, Pérez-Lage CI, Puerta A, Padrón JM, López Ó, Fernández-Bolaños JG.   +5 more
europepmc   +1 more source