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Published in 2024 at "ChemSusChem"
DOI: 10.1002/cssc.202402335
Abstract: The increasing availability of electrical energy generated from clean, low-carbon, renewable sources like solar and wind power is paving the way for a more sustainable future. This has resulted in a growing trend in the…
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Keywords:
electrification catalytic;
catalytic processes;
induction heating;
chemical processes ... See more keywords
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Published in 2024 at "International Journal of Quantum Chemistry"
DOI: 10.1002/qua.27470
Abstract: To understand the nature of heterogeneous catalytic processes and improve their efficiency, it is necessary to conduct both experimental and theoretical studies. At the same time, there is no unified approach to obtaining the necessary…
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Keywords:
thermodynamics;
chemistry;
catalytic processes;
computationally effective ... See more keywords
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Published in 2024 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.4c00643
Abstract: Computational modeling of catalytic processes at gas/solid interfaces plays an increasingly important role in chemistry, enabling accelerated materials and process optimization and rational design. However, efficiency, accuracy, thoroughness, and throughput must be enhanced to maximize…
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Keywords:
conformal sampling;
catalytic processes;
sampling catalytic;
machine learning ... See more keywords
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Published in 2021 at "Catalysts"
DOI: 10.3390/catal11101185
Abstract: In a recent United Nations draft report (August 2021), a large number of scientists from the Intergovernmental Panel on Climate Change described the climate change over the past century as “unprecedented” and warned that the…
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Keywords:
role heterogeneous;
green hydrogen;
processes green;
catalytic processes ... See more keywords
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Published in 2023 at "Catalysts"
DOI: 10.3390/catal13040690
Abstract: In the last twenty years, the application of microreactors in chemical and biochemical industrial processes has increased significantly. The use of microreactor systems ensures efficient process intensification due to the excellent heat and mass transfer…
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Keywords:
microreactor systems;
bio catalytic;
spectroscopy;
monitoring bio ... See more keywords