Density functional theory (DFT) and beyond-DFT methods are often used in combination with photoelectron spectroscopy to obtain physical insights into the electronic structure of molecules solids. The Kohn–Sham eigenvalues not electron removal energies except for highest occupied orbital. molecular orbitals underestimate or ionization due self-interaction (SI) errors approximate density function...

Background: Dental caries is still one of the maximums not unusualplace preventable persistent illnesses in children. Likewise, children at SDN 3 SILA Remote, Disadvantaged, Border and Archipelago (DTPK) areas also have same right to obtain optimal degrees oral health. Purpose: The purpose this study was determine effectiveness counseling using videos accompanied by demonstrations brushing teet...

A simplified form of the Bixon–Jortner–Plotnikov (BJP) method is derived for calculation internal conversion (IC) rate in a symmetrical molecule. The sum contributions from individual transitions between vibronic states. For each transition, vibrational modes are divided into two groups, promoting (one or per electronic transition) and surrounding ones. In case non-totally symmetric transition ...