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DFT QTAIM and NBO Study of Adsorption of Rare Gases into and on the Surface of Sulfur-Doped Single-Wall Carbon Nanotubes
Seed yield and essential oil content of fennel influenced by genetic variation and genotype*year interaction
Seed yield and essential oil content of fennel influenced by genetic variation and genotype*year interaction
Ab initio intermolecular potential energy surface of Ne...NCCN van der waals complex effect of the place of midbond function on the interaction
Scaling laws of band gaps of phosphorene nanoribbons A tight-binding calculation
A DFT study of formaldehyde adsorption on functionalized graphene nanoribbons
Photoreduction of CO2 to CO by a mononuclear Re(I) complex and DFT evaluation of the photocatalytic mechanism
Photoreduction of CO2 to CO by a mononuclear Re(I) complex and DFT evaluation of the photocatalytic mechanism
Complexation of all-cis cyclo(L-Pro)3 and alkali metal cations a DFT study
Complexation of all-cis cyclo(L-Pro)3 and alkali metal cations a DFT study
A DFT study of inter- and intramolecular proton transfer in 2-selenobarbituric acid tautomers
The Effects of Inserting a Tiny Sphere in the Center of a Nanospherical Pore on the Structure Adsorption and Capillary Condensation of a Confined Fluid (A DFT Study)
Effect of Foliar Applications of Humic Acid on Growth Visual Quality Nutrients Content and Root Parameters of Perennial Ryegrass (Lolium perenne L.)
Pyrazinamide drug interacting with Co(III) and Zn(II) metal ions based on 2 2-bipyridine and 1 10-phenanthroline ligands Synthesis studies and crystal structure DFT calculations and antibacterial assays
Pyrazinamide drug interacting with Co(III) and Zn(II) metal ions based on 2 2-bipyridine and 1 10-phenanthroline ligands Synthesis studies and crystal structure DFT calculations and antibacterial assays