Results 21 to 30 of about 1,847,287 (303)
A Unified Mechanism on the Formation of Acenes, Helicenes, and Phenacenes in the Gas Phase. [PDF]
, 2020 A unified low-temperature reaction mechanism on the formation of acenes, phenacenes, and helicenes-polycyclic aromatic hydrocarbons (PAHs) that are distinct via the linear, zigzag, and ortho-condensed arrangements of fused benzene rings-is revealed. This
Ablikim, Utuq +8 more
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The development of solid oxide co-electrolysis of H2O and CO2 on large-size cells and stacks
iEnergy, 2023 In the context of carbon neutrality, conversion of CO2 into CO is an effective way for negative carbon emission. Electrochemical reduction is a novel developed pathway, among which, solid oxide co-electrolysis technology is promising for its high ...
Jingjing Liang +5 more
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Innovative Materials for Energy Storage and Conversion
Molecules, 2022 The metal chalcogenides (MCs) for sodium-ion batteries (SIBs) have gained increasing attention owing to their low cost and high theoretical capacity. However, the poor electrochemical stability and slow kinetic behaviors hinder its practical application ...
Shi Li +8 more
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Qualitative Analysis Based Reaction Mechanism Identification
Chemical Engineering Transactions, 2013 One of the most important tasks during the design process of a chemical technology is the engineering design of the conversion subsystem based on the aspect of optimal and safe operation.
T. Varga
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Unified connected theory of few-body reaction mechanisms in N-body scattering theory [PDF]
, 1978 A unified treatment of different reaction mechanisms in nonrelativistic N-body scattering is presented. The theory is based on connected kernel integral equations that are expected to become compact for reasonable constraints on the potentials.
Polyzou, W. N., Redish, E. F.
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Nanomaterials, 2020 Photocatalyzed degradation of phenol in aqueous solution over surface impregnated TiO2 (M = Cu, Cr, V) under UV-Vis (366 nm) and UV (254 nm) irradiation is described.
S. Belekbir +5 more
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Scattering of N2 Molecules from Silica Surfaces: Effect of Polymorph and Surface Temperature
Molecules, 2022 The inelastic scattering of N2 molecules from silica surfaces, taken at 100 K, has been investigated by adopting a semiclassical collision model in conjunction with the appropriate treatment of the long-range interaction forces.
Maria Rutigliano, Fernando Pirani
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Fragment-Based Ab Initio Molecular Dynamics Simulation for Combustion
Molecules, 2021 We develop a fragment-based ab initio molecular dynamics (FB-AIMD) method for efficient dynamics simulation of the combustion process. In this method, the intermolecular interactions are treated by a fragment-based many-body expansion in which three- or ...
Liqun Cao +5 more
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Mechanism of the Kinugasa Reaction Revisited [PDF]
The Journal of Organic Chemistry, 2021 The mechanism of the Kinugasa reaction, that is, the copper-catalyzed formation of β-lactams from nitrones and terminal alkynes, is re-evaluated by means of density functional theory calculations and in light of recent experimental findings. Different possible mechanistic scenarios are investigated using phenanthroline as a ligand and triethylamine as ...
Stefano Santoro, Fahmi Himo
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Towards molecular control of elementary reactions in zeolite catalysis by advanced molecular simulations mimicking operating conditions [PDF]
, 2016 Zeolites are the workhorses of today's chemical industry. For decades they have been successfully applied, however many features of zeolite catalysis are only superficially understood and in particular the kinetics and mechanism of individual reaction ...
Bailleul, Simon +2 more
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