Predicting the reactivity of hydride donors in water: thermodynamic constants for hydrogen.

Comparison of the Performance of Different Thermodynamic Models for Liquid Phase in Predicting the Phase Behavior of Hydrogen Hydrates with THF

Comparison of metal additives and Boron atom on MgH2 absorbing-desorbing characteristics using calculated NQCCs

Using ab initio calculations, the hydrogen desorption from Magnesium hydride (MgH2) was studied. We presented the calculated nuclear quadrupole coupling constants (NQCCs) of hydrogen atom in various systems of MgH2. The effect of interactions of some metal atoms as well as Boron atom with MgH2 host matrix; (MgH2+M) nanostructures (M=Al, Ti, V, Fe, Ni ...

Comparison of metal additives and Boron atom on MgH2 absorbing-desorbing characteristics using calculated NQCCs

Using ab initio calculations, the hydrogen desorption from Magnesium hydride (MgH2) was studied. We presented the calculated nuclear quadrupole coupling constants (NQCCs) of hydrogen atom in various systems of MgH2. The effect of interactions of some metal atoms as well as Boron atom with MgH2 host matrix; (MgH2+M) nanostructures (M=Al, Ti, V, Fe, Ni ...

Thermodynamic study of an effective catalytic system, hydrogen peroxide and methyltrioxorhenium

The thermodynamic of the known and very effective catalytic system, hydrogen peroxide (H2O2) and methyltrioxorhenium (MTO) is studied in different solvents using UV-Visible spectroscopic method. The thermodynamic parameters (ΔG, ΔH and ΔS) for two equilibrium reactions, MTO + H2O2 ⇌ A + H2O and A + H2O2 ⇌ B.H2O (A, [MeRe(O)2(O2)]; B.H2O, [MeRe(OH2)(O)(O2)2]), are determined. The obtained free e...

Thermodynamic study of an effective catalytic system, hydrogen peroxide and methyltrioxorhenium

The thermodynamic of the known and very effective catalytic system, hydrogen peroxide (H2O2) and methyltrioxorhenium (MTO) is studied in different solvents using UV-Visible spectroscopic method. The thermodynamic parameters (ΔG, ΔH and ΔS) for two equilibrium reactions, MTO + H2O2 ⇌ A + H2O and A + H2O2 ⇌ B.H2O (A, [MeRe(O)2(O2)]; B.H2O, [MeRe(OH2)(O)(O2)2]), are determined. The obtained free e...