[HTML][HTML] Quantum computing for chemical and biomolecular product design
Highlights•Quantum computing and its use for computer-aided product design is discussed
and perspectives for several types of problems are provided.•Hybrid QC methods are likely …
and perspectives for several types of problems are provided.•Hybrid QC methods are likely …
Experimental methods in chemical engineering: X‐ray absorption spectroscopy—XAS, XANES, EXAFS
A Iglesias‐Juez, GL Chiarello… - … Canadian Journal of …, 2022 - Wiley Online Library
Although X‐ray absorption spectroscopy (XAS) was conceived in the early 20th century, it
took 60 years after the advent of synchrotrons for researchers to exploit its tremendous …
took 60 years after the advent of synchrotrons for researchers to exploit its tremendous …
Experimental and computational synergistic design of Cu and Fe catalysts for the reverse water–gas shift: A review
Strategies to capture and sequester ever-increasing anthropogenic CO2 emissions include
adsorbing CO2 onto inorganic substrates and then storing it in reservoirs, changing land use …
adsorbing CO2 onto inorganic substrates and then storing it in reservoirs, changing land use …
Eliminating redox-mediated electron transfer mechanisms on a supported molecular catalyst enables CO2 conversion to ethanol
Molecular catalysts play a significant role in chemical transformations, utilizing changes in
redox states to facilitate reactions. To date molecular electrocatalysts have efficiently …
redox states to facilitate reactions. To date molecular electrocatalysts have efficiently …
Selective C3–C4 cleavage via glucose photoreforming under the effect of nucleophilic dimethyl sulfoxide
Biomass photorefinery is an ideal concept to help alleviate the current energy crisis and
move toward carbon neutrality. Nevertheless, limited by the complex structure and multiple …
move toward carbon neutrality. Nevertheless, limited by the complex structure and multiple …
Electrochemical formation of C–S bonds from CO2 and small-molecule sulfur species
The formation of C–S bonds is an important step in the synthesis of pharmaceutical,
biological and chemical products. Electrocatalysis using abundant precursors is an attractive …
biological and chemical products. Electrocatalysis using abundant precursors is an attractive …
Hydrazineylidene‐3‐oxopropanal derivatives as antiviral agents for treatment of HBV and HCV: experimental, DFT, and molecular docking studies
In this study, two derivatives of hydrazineylidene‐3‐oxopropanal: chlorophenyl (CPHO) and
Nitrophenyl (NPHO) substituted hydrazineylidene compounds were synthesized …
Nitrophenyl (NPHO) substituted hydrazineylidene compounds were synthesized …
Triazole based Schiff bases and their oxovanadium (IV) complexes: Synthesis, characterization, antibacterial assay, and computational assessments
The synthesis and characterization of two new Schiff base ligands containing 1, 2, 4-triazole
moieties and their oxovanadium (IV) complexes have been reported. The ligands and their …
moieties and their oxovanadium (IV) complexes have been reported. The ligands and their …
Elucidating the Catalytic Valorization of Ethanol over Hydroxyapatite for Sustainable Butanol Production: A First-Principles Mechanistic Study
AFB Bittencourt, GP Valença… - The Journal of Physical …, 2024 - ACS Publications
The widespread concern about the burning of fossil fuels and its effects on the environment
has driven our research efforts toward sustainable energy solutions. As a result, there is a …
has driven our research efforts toward sustainable energy solutions. As a result, there is a …
[HTML][HTML] Exploration of optimal reaction conditions on lactic acid production from glucose photoreforming over carbon nitride
Biomass valorization by photoreforming approach provides a promising and alternative
strategy to generate value-added chemicals and fuels. In this work, we demonstrate the …
strategy to generate value-added chemicals and fuels. In this work, we demonstrate the …