Results 31 to 40 of about 10,545 (194)

Theoretical Calculation of Hammett Constants for Benzoic Acid and Its Derivatives Using AM1-DFT Method

open access: yesTikrit Journal of Pure Science
The Hammett equation constants were calculated theoretically by statistically correlating the practical Hammett equation constants for these compounds with several theoretically calculated structural properties.
Abdullah Ramadan Ali, Faiz M. Hamid
doaj   +1 more source

Temperature gradient driven heat flux closure in fluid simulations of collisionless reconnection

open access: yes, 2018
Recent efforts to include kinetic effects in fluid simulations of plasmas have been very promising. Concerning collisionless magnetic reconnection, it has been found before that damping of the pressure tensor to isotropy leads to good agreement with ...
Allmann-Rahn, Florian   +2 more
core   +1 more source

Kinetics and Mechanism of Hydrolysis of Benzimidazolylcarbamates [PDF]

open access: yes, 2007
Synthesis of new 2-aminobenzimidazole-1-carbamates was accomplished by carbamoylation of 2-aminobenzimidazole using different substituted phenyl chloroformates. The aqueous hydrolysis of the new compounds was examined in the pH range 1-13 at 25 oC.
Corte Real, M.   +4 more
core   +2 more sources

Low Temperature Chemoselective Hydrogenation of Aldehydes over a Magnetic Pd Catalyst

open access: yesApplied Sciences, 2019
Chemoselective hydrogenation of aldehydes with heterogeneous catalysts under mild conditions is of great importance but remains a major challenge. Herein, an efficient strategy was developed for low temperature chemoselective hydrogenation of aldehydes ...
Anqiu Liu   +6 more
doaj   +1 more source

Secondary instability of electromagnetic ion-temperature-gradient modes for zonal flow generation [PDF]

open access: yes, 2011
An analytical model for zonal flow generation by toroidal ion-temperature-gradient (ITG) modes, including finite $\beta$ electromagnetic effects, is derived.
Anderson, Johan   +3 more
core   +2 more sources

Nucleophilic Substitution at Tetracoordinate Sulfur. Kinetics and Mechanism of the Chloride-Chloride Exchange Reaction in Arenesulfonyl Chlorides: Counterintuitive Acceleration of Substitution at Sulfonyl Sulfur by ortho-Alkyl Groups and Its Origin

open access: yesMolecules, 2020
The chloride-chloride exchange reaction in arenesulfonyl chlorides was investigated experimentally and theoretically by density functional theory (DFT) calculations. The second order rate constants and activation parameters of this identity reaction were
Marian Mikołajczyk   +4 more
doaj   +1 more source

Scalable explicit implementation of anisotropic diffusion with Runge-Kutta-Legendre super-time-stepping

open access: yes, 2017
An important ingredient in numerical modelling of high temperature magnetised astrophysical plasmas is the anisotropic transport of heat along magnetic field lines from higher to lower temperatures.Magnetohydrodynamics (MHD) typically involves solving ...
Mignone, Andrea   +4 more
core   +1 more source

A Special Case of the Hammett Equation

open access: yesTransactions of the Kansas Academy of Science (1903-), 1954
k=rate constant for a reaction of a substituted compound ko=rate constant for the reaction of the unsubstituted compound =--constant specific for the substituent p=constant specific for the reaction Hammett has shown that it is necessary to restrict the use of this equation to series of reactions in which the entrophy of activation is constant if the ...
Gilkerson, W.R.   +2 more
openaire   +2 more sources

Influence of Carboxylate Ligand Variation on Structure, Magnetic Exchange, and Magnetocaloric Performance in Hexanuclear Gd(III) Complexes

open access: yesChemistry – A European Journal, EarlyView.
ABSTRACT Hexanuclear cyclic Gd(III) coordination compounds are promising candidates for magnetic and magnetocaloric applications, yet systematic series remain rare due to synthetic challenges. We report the synthesis and characterization of five new complexes with the general formula [Gd(H3bt)(carboxylate)]6, employing four different carboxylate ...
Ondřej František Fellner   +7 more
wiley   +1 more source

Fluidization of collisionless plasma turbulence

open access: yes, 2018
In a collisionless, magnetized plasma, particles may stream freely along magnetic-field lines, leading to phase "mixing" of their distribution function and consequently to smoothing out of any "compressive" fluctuations (of density, pressure, etc ...
Dorland, William   +3 more
core   +3 more sources

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