10 results on '"Castro, Ludovic"'
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2. Rational design of Fe catalysts for olefin aziridination through DFT-based mechanistic analysis
3. Insights into structure and redox potential of lignin peroxidase from QM/MM calculations
4. New perspectives in organolanthanide chemistry from redox to bond metathesis: insights from theory
5. Theoretical treatment of one electron redox transformation of a small molecule using f-element complexes
6. Controlling selectivity in the reductive activation of CO2 by mixed sandwich uranium(iii) complexes
7. Decamethylscandocinium-hydrido-(perfluorophenyl)borate: fixation and tandem tris(perfluorophenyl)borane catalysed deoxygenative hydrosilation of carbon dioxide
8. Cleaving bonds in CH3OSO2CF3with [1,2,4-(Me3C)3C5H2]2CeH; an experimental and computational study
9. Theoretical study of the solvation of HgCl2, HgClOH, Hg(OH)2 and HgCl3−: a density functional theory cluster approach
10. A DFT study of the reactivity of actinidocenes (U, Np and Pu) with pyridine and pyridine N-oxide derivatives
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