9 research outputs found
The use of momentum-space descriptors for predicting octanol-water partition coefficients
No full textCoordination Polymers Constructed from the 3,3′,5,5′-Biphenyltetracarboxylic Acid Ligand and Their Application for Anti-Lung Cancer Reagents
No full textA novel QSPR model for predicting θ (lower critical solution temperature) in polymer solutions using molecular descriptors
No full textCharacterization of new Pt(IV)–thiazole complexes: Analytical, spectral, molecular modeling and molecular docking studies and applications in two opposing pathways
No full textSimulative aurintricarboxylic acid molecular docking with antitumor activity for its VO(II), Cr(III), Mn(II) and Fe(III) complexes, HF/DFT modeling and elaborated EPR studies
No full textDensity Functional Theory and Electrochemical Noise Analysis of Corrosion Inhibition Behavior of N,N '-bis(1-(3,5-dihydroxyphenyl)ethylidene)propane-1,3-diamine on Steel in HCl Solution
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