Results: 13
Jesús Antonio Luque-Urrutia, Albert Poater
The Fundamental Noninnocent Role of Water for the Hydrogenation of Nitrous Oxide by PNP Pincer Ru-based Catalysts
Inorg. Chem., 2017, 56, 14383–14387
DOI: 10.1021/acs.inorgchem.7b02630Keywords: Catalysis, Chemical bonding, Computational chemistry, Organometallics, Reaction mechanisms
Valerio D’Elia, Amylia A. Ghani, Antoine Monassier, Julien Sofack-Kreutzer, Jeremie D. A. Pelletier, Markus Drees, Sai V. C. Vummaleti, Albert Poater, Luigi Cavallo, Mirza Cokoja, Jean-Marie Basset, Fritz.E. Kühn
Dynamics of the NbCl5 -Catalyzed Cycloaddition of Propylene Oxide and CO2 : Assessing the Dual Role of the Nucleophilic Co-Catalysts
Chem. Eur. J. , 2014, 20, 11870-11882
DOI: 10.1002/chem.201400324Keywords: Catalysis, Chemical bonding, Computational chemistry, Reaction mechanisms, Sustainable Catalysis
Ana Gallegos Saliner, Albert Poater, Andrew P. Worth
Toward in silico approaches for investigating the activity of nanoparticles in therapeutic development
IDrugs, 2008, 11, 728-732
DOI: No DOI availableKeywords: Chemical bonding, Computational chemistry, Density Functional Theory