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G4MP2 DFT and CBS-Q calculation of proton and electron affinities gas phase basicities and ionization energies of hydroxylamines and alkanolamines
Decomposition of the interaction energy of several flavonoids with Escherichia coli DNA Gyr using the SAPT (DFT) method: The relation between the interaction energy components, ligand structure, and biological activity
Decomposition of the interaction energy of several flavonoids with Escherichia coli DNA Gyr using the SAPT (DFT) method: The relation between the interaction energy components, ligand structure, and biological activity
Decomposition of the interaction energy of several flavonoids with Escherichia coli DNA Gyr using the SAPT (DFT) method: The relation between the interaction energy components, ligand structure, and biological activity
Decrypting the photocatalytic bacterial inactivation of hierarchical flower-like Bi2WO6 microspheres induced by surface properties: Experimental studies and ab initio calculations
Decrypting the photocatalytic bacterial inactivation of hierarchical flower-like Bi2WO6 microspheres induced by surface properties: Experimental studies and ab initio calculations
Decrypting the photocatalytic bacterial inactivation of hierarchical flower-like Bi2WO6 microspheres induced by surface properties: Experimental studies and ab initio calculations
Effects of a tiny particle trapped in a spherical cavity on fluid structure, contact density, and capillary condensation (a DFT approach)
Using effective medium theory to calculate permeability of rock with complex fractures
Water Stress Intensified the Relation of Seed Color with Lignan Content and Seed Yield Components in Flax (Linum usitatissimum L.)
Water Stress Intensified the Relation of Seed Color with Lignan Content and Seed Yield Components in Flax (Linum usitatissimum L.)
Water Stress Intensified the Relation of Seed Color with Lignan Content and Seed Yield Components in Flax (Linum usitatissimum L.)
Interaction between the Human OX2 Orexin Receptor and Suvorexant and Some of Its Analogues: SAPT (DFT) Interaction Energy Decomposition Analysis
DFT Study on Corrosion Inhibition by Tetrazole Derivatives: Investigation of the Substitution Effect
Investigation the effect of processing condition and dispersed phase content on rheology-morphology relationship in polypropylene/polyethylene terephthalate microfibrillar composite