Direct Evidence for a Carbon-Carbon One-Electron σ-Bond, or a Weak Carbon-Carbon Interaction? [PDF]
ChemistryOpenZazza C +4 more
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DFT insights into humic acid coordination of Cd(II) Cu(II) and Pb(II). [PDF]
Sci RepElhaes H, Ibrahim MA.
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DFT and QTAIM insights into C<sub>20</sub> fullerene derivatives as advanced sensors for phencyclidine drug detection in clinical settings. [PDF]
Sci RepAlamri A, Alafnan A.
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A DFT Study on the Interaction Mechanisms and Adsorption-Induced Raman Spectral Changes of Tire-Derived Contaminants 6PPD/6PPD‑Q with Au16 Nanoclusters. [PDF]
ACS OmegaGuo G +5 more
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Design of 9H-fluoren-9-imine based organic superbases stabilized by proton-π interactions. [PDF]
Sci RepSaeidian H, Mirjafary Z.
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Rational design of cisplatin and carboplatin complexes for enhanced anticancer efficacy based on DFT QTAIM and docking analyses. [PDF]
Sci RepGhazwani M, Hani U.
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Unveiling the reaction mechanism and the regioselectivity of Diels-Alder cycloadditions between 2-methoxy-3-thiophenylbutadiene and methyl vinyl ketone using topological tools. [PDF]
RSC AdvChellegui M +4 more
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A density functional theory study of cyclophosphamide and purinethol adsorption on a covalent triazine framework (CTF-2) for drug delivery applications. [PDF]
Sci RepTariq T, Yar M, Bayach I, Alsadun N.
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Inhibition Mechanism and Target Reassessment of Potent Piperaquine Analogs: Evidence for <i>Pf</i>LDH over <i>Pf</i>DHODH. [PDF]
ACS OmegaThomas TV +3 more
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Silapropofol: Carbon-Silicon Isosterism in a Key Anesthetic Scaffold. [PDF]
ACS OmegaKoschabek S +3 more
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