IGNACIO JOSE
NEBOT GIL
CATEDRÁTICO/A DE UNIVERSIDAD
M REMEDIOS
GONZALEZ LUQUE
TITULAR DE UNIVERSIDAD
Publicaciones en las que colabora con M REMEDIOS GONZALEZ LUQUE (12)
1990
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Analysis of the CIPSI/DCCI approach to characterize the HF AND F2 single bond
Chemical Physics, Vol. 141, Núm. 2-3, pp. 285-295
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On the dissociation energy of Cu2 and CuH using a differential correlation approach
Chemical Physics, Vol. 148, Núm. 1, pp. 69-76
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Selected dissociation- and correlation-consistent configuration interaction by a perturbative criterion
The Journal of Chemical Physics, Vol. 93, Núm. 1, pp. 495-501
1988
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Theoretical ab initio study of the vinylcarbene-CuO complex: application to last step of the propylene partial oxidation mechanism on Cu2O
Journal of Molecular Catalysis, Vol. 44, Núm. 3, pp. 323-336
1987
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A Cl study of the CuCO and CuCO+ complexes
The Journal of Chemical Physics, Vol. 87, Núm. 3, pp. 1690-1700
1986
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An ab initio CI study on the rotational barrier of the allyl anion
Theoretica Chimica Acta, Vol. 69, Núm. 2, pp. 101-106
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Pseudopotential ab initio study of σ-complexes between metallic cations and allyl anion: application to propene catalytic partial oxidation mechanism
Journal of Molecular Catalysis, Vol. 36, Núm. 3, pp. 243-251
1985
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A pseudopotential ab initio study of a β-complex between transition metals and allyl anion
Journal of Molecular Structure: THEOCHEM, Vol. 120, Núm. C, pp. 479-484
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Pseudopotential Ab initio study of allylcopper complex: application to propene catalytic partial oxidation mechanism
Journal of Molecular Structure: THEOCHEM, Vol. 22, Núm. 1-5, pp. 57-67
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Rotational barrier of the allylcopper complex. An ab initio molecular-orbital study
Chemical Physics Letters, Vol. 114, Núm. 5-6, pp. 516-519
1984
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A pseudopotential ab initio molecular orbital study of the copper(I)-ethylene system
Chemical Physics Letters, Vol. 112, Núm. 5, pp. 412-416
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An ab initio MO study of some aspects of the selective catalytic oxidation of propene to acrolein
Chemical Physics Letters, Vol. 104, Núm. 2-3, pp. 203-209