Results 31 to 40 of about 10,839,747 (385)

Lattice Tuning of Copper Single‐Crystal Surface for Electrochemical Carbon Monoxide Coupling Reaction: A Density Functional Theory Simulation

open access: yesChemElectroChem, 2023
CO is a key intermediate of electrocatalytic CO2 reduction reaction, which determines the product species. Understanding the effect of metal electrode structure on the adsorption ability and reaction activity of CO is helpful for the design of high ...
Prof. Xia‐Guang Zhang   +4 more
doaj   +1 more source

Redox-mediated reactions of vinylferrocene: Toward redox auxiliaries [PDF]

open access: yes, 2016
Chemical redox reactions have been exploited to transform unreactive vinylferrocene into a powerful dienophile for the Diels–Alder reaction and reactive substrate for thiol addition reactions upon conversion to its ferrocenium state.
Cooke, Graeme   +5 more
core   +1 more source

Three-isotope plot of fractionation in photolysis: A perturbation theoretical expression [PDF]

open access: yes, 2005
The slope of the three-isotope plot for the isotopomer fractionation by direct or nearly direct photodissociation is obtained using a perturbation theoretical analysis.
Marcus, R. A., Prakash, M. K.
core   +1 more source

Tropicalization and tropical equilibration of chemical reactions [PDF]

open access: yes, 2012
Systems biology uses large networks of biochemical reactions to model the functioning of biological cells from the molecular to the cellular scale. The dynamics of dissipative reaction networks with many well separated time scales can be described as a ...
Grigoriev, Dima   +3 more
core   +5 more sources

Modelling chemical reactions using semiconductor quantum dots [PDF]

open access: yes, 2007
We propose using semiconductor quantum dots for a simulation of chemical reactions as electrons are redistributed among such artificial atoms. We show that it is possible to achieve various reaction regimes and obtain different reaction products by ...
A. Yu. Smirnov   +4 more
core   +2 more sources

Femtosecond X-ray solution scattering reveals that bond formation mechanism of a gold trimer complex is independent of excitation wavelength

open access: yesStructural Dynamics, 2016
The [Au(CN)2−]3 trimer in water experiences a strong van der Waals interaction between the d10 gold atoms due to large relativistic effect and can serve as an excellent model system to study the bond formation process in real time.
Kyung Hwan Kim   +10 more
doaj   +1 more source

Ultrathin covalent organic overlayers on metal nanocrystals for highly selective plasmonic photocatalysis

open access: yesNature Communications, 2023
Metal nanoparticle-organic interfaces are common but remain elusive for controlling reactions due to the complex interactions of randomly formed ligand-layers.
Anubhab Acharya   +12 more
doaj   +1 more source

Kinetic Highlights of the Reduction of Silver Tungstate by Mg + C Combined Reducer

open access: yesMetals, 2022
The programmed reduction of tungstates and molybdates may yield the production of an intimate mixture of metals, pseudo-alloys or composite powders. As an extension of the study of obtaining powders of tungsten-copper, molybdenum-copper and tungsten ...
Marieta Zakaryan   +3 more
doaj   +1 more source

A compressible mixture model with phase transition [PDF]

open access: yes, 2013
We introduce a new thermodynamically consistent diffuse interface model of Allen--Cahn/Navier--Stokes type for multi-component flows with phase transitions and chemical reactions.
Dreyer, Wolfgang   +2 more
core   +5 more sources

Universality and chaoticity in ultracold K+KRb chemical reactions [PDF]

open access: yesNature Communications, 2017
A fundamental question in the study of chemical reactions is how reactions proceed at a collision energy close to absolute zero. This question is no longer hypothetical: quantum degenerate gases of atoms and molecules can now be created at temperatures ...
J. Croft   +8 more
semanticscholar   +1 more source

Home - About - Disclaimer - Privacy