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Ruette, F.
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1

Theoretical study of Mn doping effects and O or Zn vacancie..:

Marquina, J. ; Quintero, E. ; Ruette, F..
Chinese Journal of Physics.  63 (2020)  - p. 63-69 , 2020
Link: https://doi.org/10.1016/..
 
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2

Interstellar catalysis: Formation of small molecules on a g..:

Rodríguez, L.S. ; Ruette, F. ; Sánchez, M..
Journal of Molecular Catalysis A: Chemical.  316 (2010)  1-2 - p. 16-22 , 2010
Link: https://doi.org/10.1016/..
 
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3

An improvement of quantum parametric methods by using SGSA ..:

Sánchez, M. ; Oldenhof, M. ; Freitez, J. A...
International Journal of Quantum Chemistry.  110 (2009)  3 - p. 755-764 , 2009
Link: https://doi.org/10.1002/..
 
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4

Formation of monocarboxylic acids and polyols on a graphite..:

Mendoza, C. ; Rodríguez, L.S. ; Ruette, F..
Surface Science.  602 (2008)  5 - p. 1053-1060 , 2008
Link: https://doi.org/10.1016/..
 
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5

Molecular parameter optimization using simulated annealing ..:

Sánchez, M. ; Rodríguez, L. S. ; Larrazabal, G....
Molecular Simulation.  32 (2006)  1 - p. 65-70 , 2006
Link: https://doi.org/10.1080/..
 
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6

CATIVIC: Parametric quantum chemistry package for catalytic..:

Ruette, F. ; Sánchez, M. ; Martorell, G....
International Journal of Quantum Chemistry.  96 (2003)  4 - p. 321-332 , 2003
Link: https://doi.org/10.1002/..
 
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7

Calculation of one‐center integrals in parametric methods u..:

Ruette, F. ; Sánchez, M. ; Mendoza, C....
International Journal of Quantum Chemistry.  96 (2003)  4 - p. 303-311 , 2003
Link: https://doi.org/10.1002/..
 
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8

Atomic orbital participation on a chemical bond through a b..:

Ruette, F ; Gonzalez, C ; Sanchez, M
Journal of Molecular Structure: THEOCHEM.  549 (2001)  1-2 - p. 9-22 , 2001
Link: https://doi.org/10.1016/..
 
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9

Fundamental properties of parametric functionals in quantum..:

Ruette, F ; Gonzalez, C ; Octavio, A
Journal of Molecular Structure: THEOCHEM.  537 (2001)  1-3 - p. 17-25 , 2001
Link: https://doi.org/10.1016/..
 
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10

The adsorption of thiophene on a partially hydrogenated MoS..:

Jubert, A.H ; Pis-Diez, R ; Estiú, Guillermina L.
Journal of Molecular Structure: THEOCHEM.  465 (1999)  2-3 - p. 111-118 , 1999
Link: https://doi.org/10.1016/..
 
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11

A theoretical tool for the analysis of adsorbate-surface bo..:

Ruette, F. ; Poveda, F.M. ; Sierraalta, A..
Surface Science.  349 (1996)  2 - p. 241-247 , 1996
Link: https://doi.org/10.1016/..
 
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12

Molecular modeling of micropores in activated carbon:

Rodriguez, J. ; Ruette, F. ; Laine, J.
Carbon.  32 (1994)  8 - p. 1536-1537 , 1994
Link: https://doi.org/10.1016/..
 
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13

MINDO/SR calculations for adsorption of hydrocarbon fragmen..:

Poveda, F Marina ; Sanchez, M ; Ruette, F
Journal of Physics: Condensed Matter.  5 (1993)  33A - p. A237-A238 , 1993
Link: https://doi.org/10.1088/..
 
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14

MCSCF-CAS calculation of the charge topology of model oxyge..:

Aray, Y ; Rodriguez, J ; Murgich, J.
Journal of Physics: Condensed Matter.  5 (1993)  33A - p. A211-A212 , 1993
Link: https://doi.org/10.1088/..
 
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15

Quantum chemistry approaches to chemisorption and heterogen.. 

Understanding chemical reactivity ; 6
Ruette, F. , 1992
Copies:  Zentrale:E02 a che 082.2 mb/197
 
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