The structure and relative stability of Molybdata-Phosphonic Acid (MP) Complex in different solvents have been carried out using Density Functional Theory (DP[) methods. The methods me used for calculations 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 relative stability are discussed. Equilibritun geometry in the ground electronic state energy has been calculated for Lt complex. The best results for energeto and geometrical grotmd state in different of used solvents were obtained with Becke3LYP calculations.
Ghorbani, M., & Fazaeli, R. (2009). The Solvent Effects on Relative Stability of allolybdatc-Phosphonic Acid Complex: A Theoretical Study. Journal of Physical & Theoretical Chemistry, 6(2), 47-52.
MLA
M.H. Ghorbani; R. Fazaeli. "The Solvent Effects on Relative Stability of allolybdatc-Phosphonic Acid Complex: A Theoretical Study". Journal of Physical & Theoretical Chemistry, 6, 2, 2009, 47-52.
HARVARD
Ghorbani, M., Fazaeli, R. (2009). 'The Solvent Effects on Relative Stability of allolybdatc-Phosphonic Acid Complex: A Theoretical Study', Journal of Physical & Theoretical Chemistry, 6(2), pp. 47-52.
VANCOUVER
Ghorbani, M., Fazaeli, R. The Solvent Effects on Relative Stability of allolybdatc-Phosphonic Acid Complex: A Theoretical Study. Journal of Physical & Theoretical Chemistry, 2009; 6(2): 47-52.
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