QUÍMICA TEÓRICA Y COMPUTACIONAL
QTCOVI
Instituto Nacional del Carbón
Oviedo, EspañaPublicaciones en colaboración con investigadores/as de Instituto Nacional del Carbón (9)
2020
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β-(Z) Selectivity Control by Cyclometalated Rhodium(III)-Triazolylidene Homogeneous and Heterogeneous Terminal Alkyne Hydrosilylation Catalysts
ACS Catalysis, Vol. 10, Núm. 22, pp. 13334-13351
2012
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The Basicity of Carbons
Novel Carbon Adsorbents (Elsevier Ltd), pp. 173-203
2003
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Basic surface oxides on carbon materials: A global view
Langmuir, Vol. 19, Núm. 8, pp. 3505-3511
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Infrared spectroscopy of carbon materials: A quantum chemical study of model compounds
Journal of Physical Chemistry B, Vol. 107, Núm. 26, pp. 6350-6359
2000
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Pyrone-like structures as novel oxygen-based organic superbases
Angewandte Chemie - International Edition, Vol. 39, Núm. 7, pp. 1320-1323
1999
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Contribution of pyrone-type structures to carbon basicity: An ab initio study
Langmuir, Vol. 15, Núm. 11, pp. 3897-3904
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Contribution of pyrone-type structures to carbon basicity: theoretical evaluation of the pKa of model compounds
Carbon
1998
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Contribution of the basal planes to carbon basicity: An Ab initio study of the H3O+-π interaction in cluster models
Journal of Physical Chemistry B, Vol. 102, Núm. 29, pp. 5595-5601