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A Biochar‐Based Composite Hydrogel Microenvironment for Enhanced Biocatalysis

open access: yesAdvanced Materials, EarlyView.
This work presents the synthesis of a polyacrylamide hydrogel wherein biomass‐derived biochar is co‐encapsulated with the enzyme horseradish peroxidase (HRP). The resulting composite hydrogel possesses balanced electron‐rich and electron‐deficient domains, creating an optimal microenvironment that concentrates both hydrogen peroxide and phenol ...
Shengzhe Wang   +9 more
wiley   +1 more source

Multiconfiguration Density-Coherence Functional Theory

Journal of Chemical Theory and Computation, 2021
This paper presents a new theory called multiconfiguration density coherence functional theory (MC-DCFT). This theory provides a new route to define density functionals for multiconfiguration wave functions, in particular by using the one-particle density matrix in the coordinate representation. The theory is illustrated by calculating the dissociation
Dayou Zhang   +3 more
openaire   +2 more sources

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