Authors:
Lopez, X
York, DM
Dejaegere, A
Karplus, M
Citation: X. Lopez et al., Theoretical studies on the hydrolysis of phosphate diesters in the gas phase, solution, and RNase A, INT J QUANT, 86(1), 2002, pp. 10-26
Citation: X. Lopez et al., Solvent effects on the reaction coordinate of the hydrolysis of phosphatesand sulfates: Application of Hammond and anti-Hammond postulates to understand hydrolysis in solution, J AM CHEM S, 123(47), 2001, pp. 11755-11763
Citation: X. Lopez et al., Electronic properties of polyoxometalates: A DFT study of alpha/beta-[XM12O40](n-) relative stability (M = W, Mo and X a main group element), J AM CHEM S, 123(39), 2001, pp. 9571-9576
Authors:
Maestre, JM
Lopez, X
Bo, C
Poblet, JM
Casan-Pastor, N
Citation: Jm. Maestre et al., Electronic and magnetic properties of alpha-keggin anions: A DFT study of [XM12O40](n-) (M = W, Mo; X = Al-III, Si-IV,P-V, Fe-III, Co-II, Co-III) and[SiM11VO40](m-) (M = Mo and W), J AM CHEM S, 123(16), 2001, pp. 3749-3758
Citation: X. Lopez et al., Mechanism of alkaline hydrolysis of cyclic and acyclic sulfates: An ab initio study with solvation correction, J AM CHEM S, 121(23), 1999, pp. 5548-5558