| 1 |
Low cost estimation of the contribution of post-CCSD excitations to the total atomization energy using density functional theory calculations
Sanchez HR, Diez RP
Chemical Physics Letters, 649, 68, 2016 |
| 2 |
Experimental and theoretical investigation of the enantioselective hydrogenation of ethyl pyruvate with a Pt catalyst with new non-cinchona chiral modifiers
Ruggera JF, Merlo AB, Diez RP, Casella ML
Journal of Molecular Catalysis A-Chemical, 423, 233, 2016 |
| 3 |
Reduction of Mercury(II) by the Carbon Dioxide Radical Anion: A Theoretical and Experimental Investigation
Berkovic AM, Gonzalez MC, Russo N, Michelini MD, Diez RP, Martire DO
Journal of Physical Chemistry A, 114(49), 12845, 2010 |
| 4 |
A topological study of the transition states of the hydrogen exchange and dehydrogenation reactions of ethane on a zeolite cluster
Okulik NB, Diez RP, Jubert AH
Journal of Physical Chemistry A, 108(13), 2469, 2004 |
| 5 |
Electronic metastable bound states of Mn-2(2+) and Co-2(2+)
Diez RP, Alonso JA, Matxain JM, Ugalde JM
Chemical Physics Letters, 372(1-2), 82, 2003 |
| 6 |
Topological study of the effect of the isomorphic substitution of silicon by aluminum on the zeolite structure and its interaction with methane
Okulik NB, Diez RP, Jubert AH
Journal of Physical Chemistry A, 107(32), 6225, 2003 |
| 7 |
A topological study of the transition states of the hydrogen exchange and dehydrogenation reactions of methane on a zeolite cluster
Okulik NB, Diez RP, Jubert AH, Esteves PM, Mota CJA
Journal of Physical Chemistry A, 105(29), 7079, 2001 |
| 8 |
Theoretical evidence of bound metastable states in the doubly ionized nickel dimer Ni-2(2+)
Diez RP, Alonso JA
Chemical Physics Letters, 332(5-6), 481, 2000 |
