| 1 |
Ab initio cluster model comparative study of atomic oxygen and sulfur chemisorption on Pt(1 1 1) surface: relevance to heterogeneous catalysis
Illas F, Clotet A, Ricart JM
Catalysis Today, 50(3-4), 613, 1999 |
| 2 |
Density-functional study of van der Waals forces on rare-gas diatomics: Hartree-Fock exchange
Perez-Jorda JM, San-Fabian E, Perez-Jimenez AJ
Journal of Chemical Physics, 110(4), 1916, 1999 |
| 3 |
Improvement of multiconfigurational wave functions and energies by correlation energy functionals
Moscardo F, Munoz-Fraile F, Perez-Jimenez AJ, Perez-Jorda JM, San-Fabian E
Journal of Physical Chemistry A, 102(52), 10900, 1998 |
| 4 |
Analysis of Dynamical and Nondynamic Components of Electron Correlation-Energy by Means of Local-Scaling Density-Functional Theory
Valderrama E, Ludena EV, Hinze J
Journal of Chemical Physics, 106(22), 9227, 1997 |
| 5 |
The Importance of Correlation-Effects on the Bonding of Atomic Oxygen on Pt(111)
Illas F, Rubio J, Ricart JM, Pacchioni G
Journal of Chemical Physics, 105(16), 7192, 1996 |
| 6 |
Electron-Affinities of Substituted P-Benzoquinones from Hybrid Hartree-Fock/Density-Functional Calculations
Boesch SE, Grafton AK, Wheeler RA
Journal of Physical Chemistry, 100(24), 10083, 1996 |
| 7 |
Combining Multiconfigurational Wave-Functions with Density-Functional Estimates of Dynamic Electron Correlation
Malcolm NO, Mcdouall JJ
Journal of Physical Chemistry, 100(24), 10131, 1996 |
| 8 |
The 1/Z Expansion and Renormalization of the Large-Dimension Limit for Many-Electron Atoms
Kais S, Herschbach DR
Journal of Chemical Physics, 100(6), 4367, 1994 |
| 9 |
Ab-Initio Hartree-Fock and Local-Density Functional Calculations on Prototype Halogenated Porphyrins - Do Electrochemically Measured Substituent Effects Reflect Gas-Phase Trends
Ghosh A
Journal of Physical Chemistry, 98(43), 11004, 1994 |
| 10 |
Dynamic Electron Correlation - A Fragments-in-Molecules Approach
Malcolm NO, Mcdouall JJ
Journal of Physical Chemistry, 98(48), 12579, 1994 |
