검색결과 : 14건
| No. | Article |
|---|---|
| 1 |
A coarse-graining approach for the proton complex in protonated aluminosilicates Calero S, Lobato MD, Garcia-Perez E, Mejias JA, Lago S, Vlugt TJH, Maesen TLM, Smit B, Dubbeldam D Journal of Physical Chemistry B, 110(12), 5838, 2006 |
| 2 |
XPS study of interface and ligand effects in supported Cu2O and CuO nanometric particles Morales J, Espinos JP, Caballero A, Gonzalez-Elipe AR, Mejias JA Journal of Physical Chemistry B, 109(16), 7758, 2005 |
| 3 |
Structure and stability of small TiO2 nanoparticles Hamad S, Catlow CRA, Woodley SM, Lago S, Mejias JA Journal of Physical Chemistry B, 109(33), 15741, 2005 |
| 4 |
Theoretical study of the adsorption of water on a model soot surface: I. Quantum chemical calculations Hamad S, Mejias JA, Lago S, Picaud S, Hoang PNM Journal of Physical Chemistry B, 108(17), 5405, 2004 |
| 5 |
Theoretical study of the adsorption of water on a model soot surface: II. Molecular dynamics simulations Picaud S, Hoang PNM, Hamad S, Mejias JA, Lago S Journal of Physical Chemistry B, 108(17), 5410, 2004 |
| 6 |
A computational study of the hydration of the OH radical Hamad S, Lago S, Mejias JA Journal of Physical Chemistry A, 106(39), 9104, 2002 |
| 7 |
Monte Carlo simulations of symmetric and asymmetric angular model liquids Calero S, Garzon B, Mejias JA, Lago S Journal of Chemical Physics, 114(20), 9075, 2001 |
| 8 |
Calculation of the free energy of proton transfer from an aqueous phase to liquid acetonitrile Mejias JA, Hamad S, Lago S Journal of Physical Chemistry B, 105(40), 9872, 2001 |
| 9 |
Chemical stability of Sin+ species in SiOx (x < 2) thin films Barranco A, Mejias JA, Espinos JP, Caballero A, Gonzalez-Elipe AR, Yubero F Journal of Vacuum Science & Technology A, 19(1), 136, 2001 |
| 10 |
Calculation of the absolute hydration enthalpy and free energy of H+ and OH- Mejias JA, Lago S Journal of Chemical Physics, 113(17), 7306, 2000 |