Molecular Physics Enhancing the optoelectronic properties of blended triphenylamine-betalain based dyes through tailoring the anchoring unit: a theoretical investigation. By , 4 months ago
Molecular Physics Theoretical DFT and TDDFT study and experimental UV-Vis characterisation of carminic acid-tin complexes; molecular docking study of metal complexes for potential cancer therapeutic applications. By , 4 months ago
Molecular Physics Theoretical DFT and TDDFT study and experimental UV-Vis characterisation of carminic acid-tin complexes; molecular docking study of metal complexes for potential cancer therapeutic applications. By , 4 months ago
Molecular Physics A robust dipole moment of carbon monoxide (CO) is a permanent puzzle for both spectroscopic and ab initio studies. By , 4 months ago
Molecular Physics Effect of applied magnetic fields on the morphology of nematic nanobridges in slit pores. By , 4 months ago
Molecular Physics Dynamical nonequilibrium molecular dynamics simulations reveal allosteric networks, signal transduction mechanisms, and sites associated with drug resistance in biomolecular systems. By , 4 months ago
Molecular Physics Simulating passage through a cascade of conical intersections with collapse-to-a-block molecular dynamics. By , 4 months ago
Molecular Physics Capturing single-molecule properties does not ensure accurate prediction of biomolecular phase diagrams. By , 4 months ago
Molecular Physics Pressure-induced structural stability, metallization and optoelectronic properties of transition metal chalcogenide BaTiS3. By , 4 months ago