15 results on '"Jaque, Pablo"'
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2. Metal-free catalytic conversion of CO2 into methanol: local electrophilicity as a tunable property in the design and performance of aniline-derived aminoborane-based FLPs
3. A deeper analysis of the role of synchronicity on the Bell–Evans–Polanyi plot in multibond chemical reactions: a path-dependent reaction force constant
4. Elucidating sensing mechanisms of a pyrene excimer-based calix[4]arene for ratiometric detection of Hg(ii) and Ag(i) and chemosensor behaviour as INHIBITION or IMPLICATION logic gates
5. Effect of the exchange–correlation functional on the synchronicity/nonsynchronicity in bond formation in Diels–Alder reactions: a reaction force constant analysis
6. Scrutinizing the substituent effect on Mo-based electrocatalysts for molecular hydrogen release through axial–equatorial decomposition: a DFT study
7. Unexpected intramolecular N-arylcyano-β-diketiminate cyclization in new aminoquinoline derivative complexes of aluminium for CO2 fixation into cyclic carbonates
8. Effect of Lewis acid bulkiness on the stereoselectivity of Diels–Alder reactions between acyclic dienes and α,β-enals
9. Theoretical characterization of first and second generation Grubbs catalysts in styrene cross-metathesis reactions: insights from conceptual DFT
10. A computational and conceptual DFT study on the mechanism of hydrogen activation by novel frustrated Lewis pairs
11. Complementarity of reaction force and electron localization function analyses of asynchronicity in bond formation in Diels–Alder reactions
12. The reaction force constant as an indicator of synchronicity/nonsynchronicity in [4+2] cycloaddition processes
13. The reaction force constant: an indicator of the synchronicity in double proton transfer reactions
14. Theoretical analysis based on X–H bonding strength and electronic properties in red- and blue-shifting hydrogen-bonded X–H⋯π complexes
15. Analyzing Kullback–Leibler information profiles: an indication of their chemical relevance
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