In this research some mathematical calculations has been explained on the “ +VO2 +glycylglycine” system and some equations has been deduced to determine the stability constants ofthe equilibrium models including MLH+, ML and ML2H species (while M+ ≡ +2 VO , H2L+ ≡protonated glycylglycine and MLH+, ML and ML2H represent the considered complexes). Thecalculations are based on some relations betwe...

in this work, we investigated the stability of molybdate-phosphonic acid (mpa) complex by density functionaltheory (dft) computations in six solvents with the dielectric constant ranging from 1.92 to 10.36. the methodsare used for calculations are b3lyp and b3pw9 i that have been studied in two series of basis sets: d95nand6-31+g (d,p) for hydrogen and oxygen atoms; lanl2dz for mo and phosphoru...