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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
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
DFT and MP2 Calculations on Tautomers and Water Assisted Proton Transfer on 1 2 5-Oxadiazol-4 3-diamine
Sulfonated or phosphonated membranes DFT investigation of proton exchange in poly(oxadiazole) membranes
Sulfonated or phosphonated membranes DFT investigation of proton exchange in poly(oxadiazole) membranes
DFT AIM and NBO analyses of 1-methyl-2-thioxoimidazolidin-4-one tautomers and their complexes with iodine
Silver nanoparticles with 4 4-dicyanamidobiphenyl ligand Synthesis photoluminescent and electroluminescent properties and DFT calculations
Silver nanoparticles with 4 4-dicyanamidobiphenyl ligand Synthesis photoluminescent and electroluminescent properties and DFT calculations
Silver nanoparticles with 4 4-dicyanamidobiphenyl ligand Synthesis photoluminescent and electroluminescent properties and DFT calculations
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
Energy decomposition of the ibuprofen-COX-2 interaction using MD and SAPT(DFT) methods
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