The structure and relative stability of Molybdata-Phosphonic Acid (MP) Complex in different solventshave been carried out using Density Functional Theory (DP[) methods. The methods me used forcalculations are B3LYP and 83PW91. that have been studied in two series of basis sets: D95"and 6-31+0(cl,p) for hydrogen and oxygen atoms; LANL2OZ for Mn and Phosphorus. Predicted geometw and relativestabi...

molybdate sulfuric acid (msa) has been prepared and used as catalyst for the biginelli synthesis of some quinazolinones/thiones under solvent-free conditions. the catalyst loading is low and it shows recyclability. this method has advantages such as avoidance of the organic solvents, high yield of pure products, short reaction times and operational simplicity.

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...

Molybdate sulfuric acid (MSA) has been prepared and used as catalyst for the Biginelli synthesis of some quinazolinones/thiones under solvent-free conditions. The catalyst loading is low and it shows recyclability. This method has advantages such as avoidance of the organic solvents, high yield of pure products, short reaction times and operational simplicity.

Molybdate sulfuric acid (MSA) has been prepared and used as catalyst for the Biginelli synthesis of some quinazolinones/thiones under solvent-free conditions. The catalyst loading is low and it shows recyclability. This method has advantages such as avoidance of the organic solvents, high yield of pure products, short reaction times and operational simplicity.

in this research, we have studied the structural propenies of water. methanol and ethanol surrounding snidewalledcarbon nanotube (swcnt) and mixed of them either and we have investigated the solvent effects onthe relative energies and dipole moment values by ming molecular dynamics simulation. we used differentforce field it, deterrnaned energy and other type of geometrical parameters, on the p...

Efficient one-pot catalytic synthesis of (+)-nootkatone was performed from (+)-valencene using only hydrogen peroxide and amphiphilic molybdate ions. The process required no solvent and proceeded in three cascade reactions: (i) singlet oxygenation of valencene according to the ene reaction; (ii) Schenck rearrangement of one hydroperoxide into the secondary β-hydroperoxide; and (iii) dehydration...

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...

in this research, this possibility was investigated the relative stablilty geometry and bindingenergies of the hydrogen bonds of molybdate-phosphonic acid (mpa) complex in gas phase onthe basis of result of ab initio and dft calculations. three dft methods have been applied forcalculations are b3lyp, bp86 and b3pw91 that have been studied in two series of basis sets:d95** and 6-31+g(d,p) for hy...