Subject
Physical and Theoretical Chemistry,Physics and Astronomy (miscellaneous),Condensed Matter Physics,Materials Science (miscellaneous),Biochemistry,Atomic and Molecular Physics, and Optics,Biophysics,Electronic, Optical and Magnetic Materials
Reference33 articles.
1. Molecular structure, spectroscopic, dielectric and thermal study, nonlinear optical properties, natural bond orbital, HOMO-LUMO and molecular docking analysis of (C6Cl2O4) (C10H14N2F)2·2H2O;Hosna;Spectrochim. Acta - Part A Mol. Biomol. Spectrosc,2018
2. Preferential solvation of sulfadiazine, sulfamerazine and sulfamethazine in ethanol + water solvent mixtures according to the IKBI method;Delgado;J. Mol. Liq,2014
3. Prediction of thermodynamic and structural properties of sulfamerazine and sulfamethazine in water using DFT and AB initio methods;Hazhir;J. Mex. Chem. Soc,2018
4. Density functional theory study of the geometric structure and energetics of triphenylamine-based hole-transporting molecules;Malagoli;Chem. Phys. Lett.,2000
5. Density functional theory across chemistry, physics and biology;Van Mourik;Philos. Trans. R. Soc. A Math. Phys. Eng. Sci,2014
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