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The recent shale gas boom in North America has facilitated a significant increase in natural gas production, predominantly comprising light alkanes. Accordingly, the economic feasibility of light alkanes has led much attention towards exploring various chemical reactions for their valorization, including the dehydrogenation of light alkane to produce ...
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2013
Chemical, biochemical and catalytic processes occur in environments where the specifics of structure, molecular reactivity and chemical properties are often very different than in an isolated gas phase environment. It is therefore important to have good predictive models that include the solution environment.
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Chemical, biochemical and catalytic processes occur in environments where the specifics of structure, molecular reactivity and chemical properties are often very different than in an isolated gas phase environment. It is therefore important to have good predictive models that include the solution environment.
openaire +1 more source
Modern Software for Computer Modeling in Quantum Chemistry and Molecular Dynamics
Compounds, 2021Alexander S. Novikov
exaly
Unbiasing Fermionic Quantum Monte Carlo With a Quantum Computer
Nature, 2022Ryan Babbush +2 more
exaly