Carlos Silva Lopez

Multi-level and density functional electronic structure calculations of proton affinities and gas-phase basicities involved in biological phosphoryl transfer

J. Phys. Chem. A, (2006) 110, 7910797
DOI: 10.1021/jp054360q Download PDF

Pseudorotation barriers of biological oxyphosphoranes: a challenge for simulations of ribozyme catalysis

Chemistry, (2005) 11, 2081-2093
DOI: 10.1002/chem.200400790 Download PDF

Ellipticity: a convenient tool to characterize electrocyclic reactions

Chemistry, (2005) 11, 1734-1738
DOI: 10.1002/chem.200401026 Download PDF

Theoretical Study of the Vinyl Allene Oxide to Cyclopent-2-en-1-one Rearrangement:‚ÄČ Mechanism, Torquoselectivity and Solvent Effects

J. Org. Chem., (2004) 69, 3635-3644
DOI: 10.1021/jo049620z Download PDF

Pseudorotation of natural and chemically modified biological phosphoranes: implications for RNA catalysis

Chem. Phys. Chem., (2004) 5, 1045-1049
DOI: 10.1002/cphc.200400091 Download PDF