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2011 Journal Article Mechanistic insights on azide-nitrile cycloadditions: On the dialkyltin oxide-trimethylsilyl azide route and a new vilsmeier-haack-type organocatalystCantillo, David, Gutmann, Bernhard and Kappe, C. Oliver (2011). Mechanistic insights on azide-nitrile cycloadditions: On the dialkyltin oxide-trimethylsilyl azide route and a new vilsmeier-haack-type organocatalyst. Journal of the American Chemical Society, 133 (12), 4465-4475. doi: 10.1021/ja109700b |
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2011 Journal Article Assessing the whole range of CuAAC mechanisms by DFT calculations-on the intermediacy of copper acetylidesCantillo, David, Avalos, Martin, Babiano, Reyes, Cintas, Pedro, Jimenez, Jose L. and Palacios, Juan C. (2011). Assessing the whole range of CuAAC mechanisms by DFT calculations-on the intermediacy of copper acetylides. Organic and Biomolecular Chemistry, 9 (8), 2952-2958. doi: 10.1039/c0ob01001d |
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2011 Journal Article On the enhanced reactivity and selectivity of triazole formation in molecular flasks. A theoretical rationaleCantillo, David, Avalos, Martin, Babiano, Reyes, Cintas, Pedro, Jimenez, Jose L. and Palacios, Juan C. (2011). On the enhanced reactivity and selectivity of triazole formation in molecular flasks. A theoretical rationale. Organic and Biomolecular Chemistry, 9 (22), 7638-7642. doi: 10.1039/c1ob06206a |
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2010 Journal Article A unified mechanistic view on the Morita-Baylis-Hillman reaction: computational and experimental investigationsCantillo, David and Kappe, C. Oliver (2010). A unified mechanistic view on the Morita-Baylis-Hillman reaction: computational and experimental investigations. The Journal of Organic Chemistry, 75 (24), 8615-8626. doi: 10.1021/jo102094h |
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2010 Journal Article Unusual aryl migration in a mesmeric betaine in the solid and liquid state: mechanistic insights into the SNAr reactionCantillo, David, Avalos, Martin, Babiano, Reyes, Cintas, Pedro, Jimenez, Jose L., Light, Mark E. and Palacios, Juan C. (2010). Unusual aryl migration in a mesmeric betaine in the solid and liquid state: mechanistic insights into the SNAr reaction. The Journal of Organic Chemistry, 75 (12), 4300-4303. doi: 10.1021/jo100350t |
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2010 Journal Article Push-pull 1,3-thiazolium-5-thiolates. Formation via concerted and stepwise pathways, and theoretical evaluation of NLO propertiesCantillo, David, Avalos, Martin, Babiano, Reyes, Cintas, Pedro, Jimenez, Jose L., Light, Mark E., Palacios, Juan C. and Rodriguez, Valentin (2010). Push-pull 1,3-thiazolium-5-thiolates. Formation via concerted and stepwise pathways, and theoretical evaluation of NLO properties. Organic and Biomolecular Chemistry, 8 (23), 5367-5374. doi: 10.1039/c0ob00416b |
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2009 Journal Article Dissecting competitive mechanisms: thionation vs. cycloaddition in the reaction of thioisomunchnones with isothiocyanates under microwave irradiationCantillo, David, Avalos, Martin, Babiano, Reyes, Cintas, Pedro, Jimenez, Jose L., Light, Mark E. and Palacios, Juan C. (2009). Dissecting competitive mechanisms: thionation vs. cycloaddition in the reaction of thioisomunchnones with isothiocyanates under microwave irradiation. The Journal of Organic Chemistry, 74 (20), 7644-7650. doi: 10.1021/jo900960a |
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2009 Journal Article Thionation of mesoionics with isothiocyanates: evidence supporting a four-step domino process and ruling out a [2+2] mechanismCantillo, David, Avalos, Martin, Babiano, Reyes, Cintas, Pedro, Jimenez, Jose L., Light, Mark E. and Palacios, Juan C. (2009). Thionation of mesoionics with isothiocyanates: evidence supporting a four-step domino process and ruling out a [2+2] mechanism. The Journal of Organic Chemistry, 74 (10), 3698-3705. doi: 10.1021/jo900028c |
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2008 Journal Article Stepwise cycloadditions of mesoionic systems: thionation of thioisomunchnones by isothlocyanatesCantillo, David, Avalos, Martin, Babiano, Reyes, Cintas, Pedro, Jimenez, Jose L., Light, Mark E. and Palacios, Juan C. (2008). Stepwise cycloadditions of mesoionic systems: thionation of thioisomunchnones by isothlocyanates. Organic Letters, 10 (6), 1079-1082. doi: 10.1021/ol702929k |
