YÖKSİS Makale Veritabanı

Phenanthroimidazole and dicyanovinyl-substituted triphenylamine for the selective detection of CN−: DFT calculations and practically applications

Paramagnetic characterization and dosimetric properties of Airfix drug and its ingredients (Montelukast sodium, Sorbitol): An EPR and DFT study

Novel Sulfonylamido Benzoxazole Derivatives: Synthesis, Characterisation, Molecular Docking, DFT, and Antimicrobial Activity Investigations

Novel Sulfonylamido Benzoxazole Derivatives: Synthesis, Characterisation, Molecular Docking, DFT, and Antimicrobial Activity Investigations

Novel sulfonylamido benzoxazole derivatives: synthesis, characterisation, molecular docking, DFT, and antimicrobial activity investigations

Highly selective thiazole-appended "switch off" fluorogenic sensor with a detection level of nM for Cu2+: DFT calculations and practically applications

Synthesis, Molecular Docking, DFT, ADMET, and Antimicrobial Activity Studies of New 2‐Substituted‐5‐(methyl/ethylsulfonyl)benzoxazole Derivatives

Synthesis, Molecular Docking, DFT, ADMET, and Antimicrobial Activity Studies of New 2-Substituted-5-(methyl/ethylsulfonyl)benzoxazole Derivatives

Synthesis, Molecular Docking, DFT, ADMET, and Antimicrobial Activity Studies of New 2‐Substituted‐5‐(methyl/ethylsulfonyl)benzoxazole Derivatives

Synthesis crystal structure spectroscopic investigations thermal behavior and DFT calculations of pentacarbonyl 2 methylpyrazine chromium 0

Acetamido-bridged 2-substituted benzoxazole and N-ethyl piperazine derivatives: Synthesis, antimicrobial evaluation, molecular modeling, and DFT studies

Acetamido-bridged 2-substituted benzoxazole and N-ethyl piperazine derivatives: Synthesis, antimicrobial evaluation, molecular modeling, and DFT studies

Investigation of photosensitive properties of novel TiO2:Cu2O mixed complex interlayered heterojunction: showcasing experimental and DFT calculations

Ab initio and DFT methodologies for computing hyperpolarizabilities and susceptibilities of highly conjugated organic compounds for nonlinear optical applications

Ab initio and DFT methodologies for computing hyperpolarizabilities and susceptibilities of highly conjugated organic compounds for nonlinear optical applications

Synthesis, structural characterization, DFT calculations, molecular docking, and antimicrobial activity studies of some new oxazolo[4,5-b]pyridine derivatives

Anticancer, antimicrobial, spectral, voltammetric and DFT studies with Cu(II) complexes of 2-hydroxy-5-methoxyacetophenone thiosemicarbazone and its N(4)- substituted derivatives

Quantum chemical calculations and experimental studies of third order nonlinear optical properties of conjugated TTF quinones

IN VITRO AND IN SILICO STUDIES ON LIGNAN SECOISOLARICIRESINOL DIGLUCOSIDE

Oxygen and proton reduction by decamethylferrocene in non aqueous acidic media