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Machine Learning for Chemical Reactions.

Chemical Reviews, 2021
Machine learning (ML) techniques applied to chemical reactions have a long history. The present contribution discusses applications ranging from small molecule reaction dynamics to computational platforms for reaction planning. ML-based techniques can be
M. Meuwly
semanticscholar   +1 more source

Mechanochemistry: A force in disguise and conditional effects towards chemical reactions.

Chemical Communications, 2021
Mechanochemistry refers to unusual chemical reactions induced by mechanical energy at room temperatures. It has attracted increased attention because of advantages, such as being a solution-free, energy saving, high-productivity and low-temperature ...
S. Mateti   +7 more
semanticscholar   +1 more source

Chemical Reactions

Principles of Classical Thermodynamics, 2019
Y. Demirel, Vincent Gerbaud
semanticscholar   +3 more sources

Chemical reactions in the hydrothermal liquefaction of biomass and in the catalytic hydrogenation upgrading of biocrude

, 2021
The imbalance between the energy demand and supply and environmental pollution makes it necessary to develop renewable energy as an alternative energy source.
Botian Hao   +5 more
semanticscholar   +1 more source

Chemical reaction dynamics

Chemical Society Reviews, 2017
Guest editors Xueming Yang, David Clary and Daniel Neumark introduce the chemical reaction dynamics themed issue of Chemical Society Reviews.
Xueming Yang   +2 more
openaire   +2 more sources

Plasmon-Mediated Chemical Reactions on Nanostructures Unveiled by Surface-Enhanced Raman Spectroscopy.

Accounts of Chemical Research, 2019
Surface plasmons (SPs) originating from the collective oscillation of conduction electrons in nanostructured metals (Au, Ag, Cu, etc.) can redistribute not only the electromagnetic fields but also the excited carriers (electrons and holes) and heat ...
Chao Zhan   +4 more
semanticscholar   +1 more source

Laser-Induced Chemical Reactions

Applied Optics, 1973
The selective action of laser is attractive for nonthermal stimulation of chemical reactions. Of special concern is the use of infrared lasers with wavelengths coinciding with the vibrational frequency of many molecules. The possibility of chemical reactions induced by CO(2)-laser light is exemplified by the case of BCl(3) molecules.
openaire   +2 more sources

Chemical Reaction Technology

2015
The book discusses the sciences of operations, converting raw materials into desired products on an industrial scale by applying chemical transformations and other industrial technologies. Basics of chemical technology combining chemistry, physical transport, unit operations and chemical reactors are thoroughly prepared for an easy understanding.
openaire   +1 more source

Superwettability‐Based Interfacial Chemical Reactions

Advances in Materials, 2018
Superwetting interfaces arising from the cooperation of surface energy and multiscale micro/nanostructures are extensively studied in biological systems.
Yuchen Wu   +4 more
semanticscholar   +1 more source

Dissolution with Chemical Reactions: Reversible versus Irreversible Chemical Reactions

Journal of Pharmaceutical Sciences, 1990
Abstract To the Editor: A publication by Mooney et al. described the rate of dissolution with reversible chemical reactions under buffered conditions. Their model, shown in Figure 1, was modified from a theoretical model presented by Higuchi et al. This model (in refs 1 and 2) considers that hydroxide ion (OH) and the buffer (B) may diffuse into the ...
openaire   +2 more sources

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