|
18 |
"Ab
initio cluster-model study of the on-top chemisorption of F and Cl on Si(111) and Ge(111) surfaces" by F. Illas, J.
Rubio and J.M. Ricart, Phys. Rev. B, 31 (1985) 8068 |
|
17 |
"Cu
as a one-electron atom Molecular structure and dissociation energy of CuOH" by F. Illas, J. Rubio and J.C. Barthelat, Chem. Phys. Lett., 119 (1985) 397 |
|
16 |
"MINDO/3
potential energy surface for hydrogen-graphite system Active sites and migration"
by R. Caballol, J. Igual,
F. Illas and J. Rubio, Surf. Sci., 149 (1985) 621 |
|
15 |
"Bulk
properties of diamond and silicon by the MINDO/3 crystalline orbital
approximation" by J.M. Ricart and F.
Illas, J. Mol. Struc. (THEOCHEM), 120 (1985) 309 |
|
14 |
"On
the use of frozen orbitals in molecular orbital cluster calculations Cl on Si(111)" by J.Masip, J.
Rubio and F. Illas, Chem. Phys. Lett., 120 (1985) 513 |
|
13 |
"An
Ab Initio study of the interaction of atomic hydrogen with cluster models
simulating the (100) and (110) silver surfaces" by J.A. Garrido, F.
Illas, J.M. Ricart and J. Rubio, J. Electroanal. Chem., 196 (1985) 387 |
|
12 |
"Periodic
MINDO/3 study of the unreconstructed (111) surface of diamond and of hydrogen chemisorption thereon"
by R. Dovesi, C. Pisani, C. Roetti,
J.M. Ricart and F. Illas, Surf. Sci., 148 (1984)
225 |
|
11 |
"MINDO/3
study of periodic overlayers on graphite" by J.M. Ricart, F. Illas and J. Virgili,
Surf. Sci., 147 (1984) 413 |
|
10 |
"Molecular
structure of CuOH and Cu(OH)2-
An Ab Initio study" by F. Illas, J.Rubio,
F. Centellas and J. Virgili,
J. Phys. Chem., 88 (1984) 5225 |
|
9 |
"Ab
initio molecular structure of XnH2n compounds (X=Si,Ge; n=3,4)" by J.
Rubio and F. Illas, J. Mol. Struc. (THEOCHEM), 110 (1984) 131 |
|
8 |
"MINDO/3
calculations for periodic systems" by J.M. Ricart,
F. Illas, R. Dovesi, C. Pisani and C. Roetti, Chem. Phys. Lett., 108 (1984) 593 |
|
7 |
"Dissociative
chemisorption of molecular hydrogen on graphite A MINDO/3 study" by
J. Casañas, F. Illas, F. Sanz and J. Virgili, Surf. Sci., 133 (1983) 29 |
|
6 |
"A
MINDO/3 approach to the chemisorption on graphite of electrophilic adsorbates"
by F. Illas, F. Sanz and J. Virgili, J. Mol. Struc. (THEOCHEM), 94 (1983) 87 |
|
5 |
"A
MINDO/3 approach to the chemisorption of hydrogen on graphite" by F.
Illas, F. Sanz and J. Virgili, J. Mol. Struct. (THEOCHEM), 94 (1983) 79 |
|
4 |
"Quantum
Chemical Approach to the Chemisorption on mercury. Part II. Halides"
by F. Illas, F. Sanz and J. Virgili, J. Electroanal. Chem., 142 (1982) 31 |
|
3 |
"Quantum
Chemical Approach to the Chemisorption on mercury. |
|
2 |
"Algunos comentarios sobre el método IEHT" by F.Illas, F. Sanz and J. Virgili, An. Quim, 78 (1982) 280 |
|
1 |
"La técnica polarográfica
en el estudio de mecanismo complejos cinética de la oximación
del índigo-carmín" by F.Illas, F. Sanz and J. Virgili, An. Quim, 78 (1982) 49 |