Results 71 to 80 of about 2,180 (202)

Dearden, J.C.; Cronin, M.T.D.; Schultz, T.W.; Lin, D.T. QSAR Study of the Toxicity of Nitrobenzenes to Tetrahymena pyriformis. QSAR Comb. Sci. 1995, 14, 5, 427–432. [PDF]

, 2012
A QSAR analysis has been carried out of the toxicity of 47 mono-substituted nitrobenzenes to the aquatic ciliate Tetrahymena pyriformis. The single most important parameter was the logarithm of the apparent partition coefficient (logD) at pH 7.35. 2- and

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Investigation of Vibrational Signatures Of Nitrobenzenes Enhanced By Argyrophilic Interactions [PDF]

, 2018
This investigation studies the interactions between various nitroaromatic high energy density materials (HEDMs) and a pair of silver atoms (Ag2). Additionally, we examine the changes in frequency, infrared (IR) intensities, and Raman activities induced ...
Reed, Hailey
core  

A Solid-State Nitrogen-15 NMR and Ab Initio Study of Nitrobenzenes [PDF]

, 2016
Insight into the unexpectedly small range of isotropic nitrogen chemical shifts in nitrobenzene derivatives is gained through measurements of the chemical shift (CS) tensor by solid-state NMR experiments and ab initio molecular orbital (MO) and density ...
Ronald D. Curtis (3032346), Allison Barrett (3032349), Guy M. Bernard (1464460), Glenn H. Penner (2520265), Roderick E. Wasylishen (1464451)   +4 more
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Quantum chemistry based QSAR prediction and priority setting for toxicity of nitrobenzenes on EINECS list [PDF]

, 2006
Fifteen experimental literature data sets on the acute toxicity of substituted nitrobenzenes to algae (Scenedesmus obliquus, Chlorella pyrenoidosa, C. vulgaris), daphnids (Daphnia magna, D. carinata), fish (Cyprinus carpio, Poecilia reticulata), protozoa
Vervoort, J., Murk, A.J., Soffers, A.E.M.F., Freidig, A., Rietjens, I.M.C.M., Zvinavashe, E., Vervoort, J.J.M.   +6 more
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Auto‐Click Synthesis of a Copper(I)–N‐Heterocyclic Carbene Porous Organic Polymer and Its Transmetalation to Palladium(II) for Azide–Alkyne Cycloaddition and Cross‐Coupling Reactions

European Journal of Inorganic Chemistry, Volume 29, Issue 23, 13 August 2026.
An azide‐functionalized Cu(I)–NHC complex acts as both a monomer and a catalyst in an auto‐click polymerization, yielding a Cu(I)–NHC polymer that can be transmetalated to Pd(II). The two materials catalyze copper‐catalyzed azide–alkyne cycloaddition, C–N/C–O coupling, and Suzuki–Miyaura reactions, while copper reloading restores activity.
Cyril Nicolay, Anca G. Mirea, Iuliana M. Chirica, Mihaela Florea, Arnaud Gautier, Ion Grosu, Niculina D. Hădade   +6 more
wiley   +1 more source

Photoelectrochemical reduction of chlorinated nitrobenzenes: heavy atom versus radical ion lifetime effects [PDF]

, 2001
The photoelectrochemical behaviour of several chlorinated nitrobenzenes has been investigated using steady state channel flow cell methods. It has been shown that, in acetonitrile + 0.1 M TBAHFP, 4-chloronitrobenzene (p-CNB), 2-chloronitrobenzene (o-CNB),
Macfie, G, Compton, RG, Wadhawan, J, Compton, Richard   +3 more
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Eco‐Friendly Synthesis of Cobalt Phthalocyanine for High‐Efficiency CO2${\rm CO}_{2}$ Electroreduction

Chemistry – A European Journal, Volume 32, Issue 29, 7 August 2026.
A sustainable synthesis of cobalt phthalocyanine (CoPc) using low‐impact solvents yields high‐performance electrocatalysts with reduced waste (E‐factor 18.6). When integrated into gas diffusion electrodes, CoPc achieves up to 12% Faradays efficiency for CO2‐to‐methanol and 65% CO2‐to‐CO conversion, aligning with state‐of‐the‐art materials and enabling ...
Gloria Zanotti, Federica Palmeri, Venanzio Raglione, Abdolhamid Khodadadi, Camille Tabaries, Jerome Capitolis, Mathieu Prevot, Laurent Piccolo, Mahmoud Zendehdel, Roberto Flammini, Giorgio Contini   +10 more
wiley   +1 more source

Sum Frequency Generation Spectroscopy as a Powerful Tool for In Situ Analysis of Photo‐ and Electrocatalytic Interfaces

Advanced Photonics Research, Volume 7, Issue 8, August 2026.
Sum Frequency Generation spectroscopy is an advanced nonlinear optical vibrational technique for probing molecules at boundaries, such as gas–liquid, liquid–solid, and gas–solid interfaces, providing information on reaction kinetics and mechanism that allowoptimization to design the ideal catalytic surface.
Zohreh Moghaddasi, Alireza Ranjbari, Mohamed Nawfal Ghazzal, Christophe Humbert   +3 more
wiley   +1 more source

QSAR study of the toxicity of nitrobenzenes to Tetrahymena pyriformis using quantum chemical descriptors [PDF]

, 2012
Quantitative Structure–Activity Relationship (QSAR) models are useful in understanding how chemical structure relates to the biological activity and the toxicity of natural and synthetic chemicals.
Mekelleche, Sidi Mohamed, Bellifa, Khadidja   +1 more
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Internal rotation potential and structure of six fluorine substituted nitrobenzenes studied by microwave spectroscopy supported by quantum chemical calculations [PDF]

, 2014
Microwave spectra of the vibrational ground state and several torsionally excited states were used to investigate the internal rotation potential and the structure of six fluorine substituted nitrobenzenes: 3-fluoro- and 4-fluoronitrobenzene were planar ...
Larsen, Niels Wessel, Nielsen, Ole Vesterlund   +1 more
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