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Dataset of numerical assessment on the combined effects of non-thermal plasma and water addition in hydrogen combustion. [PDF]

Data Brief
Mehdi G, Almusa E, Don MPG, Kaario O, Ali Shah Z, Chandio MB, De Giorgi MG.   +6 more
europepmc   +1 more source

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Dissociation of Water under Pressure

Physical Review Letters, 2001
Physical Review ...
E, Schwegler, G, Galli, F, Gygi, R Q, Hood   +3 more
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Dissociation Mechanism of Acetic Acid in Water

Journal of the American Chemical Society, 2006
The reaction mechanism for acetic acid dissociation in aqueous solution has been investigated by combining the metadynamics method with transition path sampling (TPS). By using collective variables that describe not only the deprotonation of the acid but also the solvation state of the hydronium ion and its distance from the acetate, a reactive ...
Park, Jung Mee, Laio, Alessandro, Iannuzzi, Marcella, Parrinello, Michele   +3 more
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Imaging Water Dissociation on TiO2(110)

Physical review letters, 2001
Physical Review ...
Brookes, I. M., Muryn, C. A., Thornton, G.   +2 more
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Water dissociation on multimetallic catalysts

Applied Catalysis B: Environmental, 2017
Abstract DFT based calculations were employed in the study of the dissociation of the water molecule onto copper and nickel (110) and (111) surface models, incorporating two additional metallic elements, because it was found previously that metal alloying leads to strong synergic effects in the catalysis of this reaction.
José L.C. Fajín, M. Natália D.S. Cordeiro, José R.B. Gomes   +2 more
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REACTIONS IN DISSOCIATED WATER VAPOR

Canadian Journal of Chemistry, 1951
Water vapor dissociated by an electric discharge and passed into a cold trap yielded products which gave off oxygen at temperatures above −120°C. and at room temperature consisted of hydrogen peroxide and water. With products formed under given conditions, the amount of oxygen evolved with warming was proportional to the total amount of product and ...
R. A. Jones, C. A. Winkler
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Dissociative Water Potential for Molecular Dynamics Simulations

The Journal of Physical Chemistry B, 2007
A new interatomic potential for dissociative water was developed for use in molecular dynamics simulations. The simulations use a multibody potential, with both pair and three-body terms, and the Wolf summation method for the long-range Coulomb interactions.
T S, Mahadevan, S H, Garofalini
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