| 1 |
Polymorphism in Cisplatin Anticancer Drug
Marques MPM, Valero R, Parker SF, Toinkinson J, de Carvalho LAEB
Journal of Physical Chemistry B, 117(21), 6421, 2013 |
| 2 |
Consistent van der Waals Radii for the Whole Main Group
Mantina M, Chamberlin AC, Valero R, Cramer CJ, Truhlar DG
Journal of Physical Chemistry A, 113(19), 5806, 2009 |
| 3 |
Adiabatic states derived from a spin-coupled diabatic transformation: Semiclassical trajectory study of photodissociation of HBr and the construction of potential curves for LiBr+
Valero R, Truhlar DG, Jasper AW
Journal of Physical Chemistry A, 112(25), 5756, 2008 |
| 4 |
A diabatic representation including both valence nonadiabatic interactions and spin-orbit effects for reaction dynamics
Valero R, Truhlar DG
Journal of Physical Chemistry A, 111(35), 8536, 2007 |
| 5 |
Identifying spectator bonds in modeling reactions: OH+CO -> H+CO2
Valero R, Kroes GJ
Chemical Physics Letters, 417(1-3), 43, 2006 |
| 6 |
Classical trajectory study of the HOCO system using a new interpolated ab initio potential energy surface
Valero R, van Hemert MC, Kroes GJ
Chemical Physics Letters, 393(1-3), 236, 2004 |
| 7 |
New results for the OH (v=0,j=0)+CO (v=0,j=0)-> H+CO2 reaction: Five- and full-dimensional quantum dynamical study on several potential energy surfaces
Valero R, McCormack DA, Kroes GJ
Journal of Chemical Physics, 120(9), 4263, 2004 |
| 8 |
Theoretical reaction dynamics study of the effect of vibrational excitation of CO on the OH+CO -> H+CO2 reaction
Valero R, Kroes GJ
Journal of Physical Chemistry A, 108(41), 8672, 2004 |
| 9 |
Ab initio and kinetics study of the ground (1)A'' potential energy surface of the O(D-1)+N2O -> 2NO, N-2+O-2(a(1)Delta(g)) reactions
Gonzalez M, Sayos R, Valero R
Chemical Physics Letters, 355(1-2), 123, 2002 |
| 10 |
Theoretical rate constants for the OH plus CO -> H+CO2 reaction using variational transition state theory on analytical potential energy surfaces
Valero R, Kroes GJ
Journal of Chemical Physics, 117(19), 8736, 2002 |
