Factors That Determine the Variation of Equilibrium and Kinetic Properties of QM/MM Enzyme Simulations: QM Region, Conformation, and Boundary Condition.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.1c00714
Abstract: To analyze the impact of various technical details on the results of quantum mechanical (QM)/molecular mechanical (MM) enzyme simulations, including the QM region size, catechol-O-methyltransferase (COMT) is studied as a model system using an approximate… read more here.
Keywords: equilibrium kinetic; kinetic properties; region; factors determine ... See more keywords
Equilibrium, kinetic and hydraulic study of different Indian bentonites in presence of lead
Sign Up to like & getrecommendations! Published in 2020 at "European Journal of Environmental and Civil Engineering"
DOI: 10.1080/19648189.2020.1754297
Abstract: The present study is aimed at investigating the change in surface morphology, hydraulic behaviour and sorption capability of two locally available Indian bentonites in the presence of different lea... read more here.
Keywords: indian bentonites; kinetic hydraulic; study; equilibrium kinetic ... See more keywords
Effect of Particle Size on the Sorption of Lead from Water by Different Species of Sawdust: Equilibrium and Kinetic Study
Sign Up to like & getrecommendations! Published in 2017 at "Bioresources"
DOI: 10.15376/biores.12.2.4123-4145
Abstract: Both the effect of particle size and initial concentration on the adsorption of lead by sawdust of two timber species were investigated using batch experimental equilibrium and kinetic studies. A 100% lead removal efficiency was… read more here.
Keywords: particle size; equilibrium kinetic; particle; sorption ... See more keywords
Equilibrium and Kinetic Study of l- and d-Valine Adsorption in Supramolecular-Templated Chiral Mesoporous Materials
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DOI: 10.3390/molecules26020338
Abstract: Adsorption kinetic studies are conducted to investigate the potential to use chiral mesoporous materials nanoporous guanosine monophosphate material-1 (NGM-1) and nanoporous folic acid material-1 (NFM-1) for the enantiomeric separation of l- and d-valine. A pseudo-second-order… read more here.
Keywords: adsorption; valine; kinetic study; mesoporous materials ... See more keywords
Thermodynamic, equilibrium and kinetic studies of adsorption of Rhodamine B onto activated bamboo carbon
Sign Up to like & getrecommendations! Published in 2017 at "Desalination and Water Treatment"
DOI: 10.5004/dwt.2017.20386
Abstract: aDepartment of Chemistry, University of Sri Jayewardenepura, Gangodawila, Nugegoda, Sri Lanka, Tel. 0094773830313; emails: [email protected], [email protected] (N. Kottegoda), Tel. 0094716455954; email: [email protected] (B. Gayani) bDepartment of Chemistry, University of Peradeniya, Peradeniya, Sri Lanka, Tel. 0094773594127;… read more here.
Keywords: sri lanka; chemistry; equilibrium kinetic; thermodynamic equilibrium ... See more keywords