Atomic decomposition of conceptual DFT descriptors: application to proton transfer reactions R Inostroza-Rivera, M Yahia-Ouahmed, V Tognetti, L Joubert, B Herrera, ... Physical Chemistry Chemical Physics 17 (27), 17797-17808, 2015 | 45 | 2015 |
Using the reaction force and the reaction electronic flux on the proton transfer of formamide derived systems R Inostroza-Rivera, B Herrera, A Toro-Labbé Physical Chemistry Chemical Physics 16 (28), 14489-14495, 2014 | 38 | 2014 |
The mechanism of Menshutkin reaction in gas and solvent phases from the perspective of reaction electronic flux S Giri, R Inostroza-Rivera, B Herrera, AS Núñez, F Lund, A Toro-Labbé Journal of molecular modeling 20, 1-9, 2014 | 35 | 2014 |
Role of water in intramolecular proton transfer reactions of formamide and thioformamide D Guzmán-Angel, R Inostroza-Rivera, S Gutiérrez-Oliva, B Herrera, ... Theoretical Chemistry Accounts 135, 1-10, 2016 | 27 | 2016 |
Understanding hydrogelation processes through molecular dynamics JV Alegre-Requena, C Saldías, R Inostroza-Rivera, DD Díaz Journal of Materials Chemistry B 7 (10), 1652-1673, 2019 | 26 | 2019 |
Synthetic approaches and in vitro cytotoxic evaluation of 2-acyl-3-(3, 4, 5-trimethoxyanilino)-1, 4-naphthoquinones JA Valderrama, M Cabrera, J Benites, D Ríos, R Inostroza-Rivera, ... RSC advances 7 (40), 24813-24821, 2017 | 15 | 2017 |
The effect of the environment on the methyl transfer reaction mechanism between trimethylsulfonium and phenolate DA Saez, S Vogt-Geisse, R Inostroza-Rivera, T Kubař, M Elstner, ... Physical Chemistry Chemical Physics 18 (34), 24033-24042, 2016 | 11 | 2016 |
The Beckmann rearrangement in the framework of reaction electronic flux S Giri, R Inostroza-Rivera, M Jana Theoretical Chemistry Accounts 136, 1-12, 2017 | 10 | 2017 |
Tailoring the properties of manganocene: formation of magnetic superalkali/superhalogen R Parida, GN Reddy, R Inostroza-Rivera, A Chakraborty, S Giri Journal of Molecular Modeling 25, 1-6, 2019 | 9 | 2019 |
Optical and electronic activities of biobased films of chitosan/POTE containing gold nanoparticles: Experimental and theoretical analyses M Méndez-López, V Moreno-Serna, R Inostroza-Rivera, A Ramos, ... European Polymer Journal 108, 235-249, 2018 | 9 | 2018 |
Can Superhalogen Ligand Make More Reactive Frustrated Lewis Pairs? R Parida, R Inostroza Rivera, S Sinha, S Giri ChemistrySelect 6 (31), 8068-8073, 2021 | 8 | 2021 |
Exploring the effect of the irradiation time on photosensitized dendrimer-based nanoaggregates for potential applications in light-driven water photoreduction NP Martínez, R Inostroza-Rivera, B Durán, L Molero, S Bonardd, ... Nanomaterials 9 (9), 1316, 2019 | 5 | 2019 |
Unique reactivity of B in B [Ge 9 Y 3] 3 (Y= H, CH 3, BO, CN): formation of a Lewis base GN Reddy, R Parida, R Inostroza-Rivera, A Chakraborty, P Jena, S Giri Physical Chemistry Chemical Physics 21 (42), 23301-23304, 2019 | 5 | 2019 |
A facile approach for tuning optical and surface properties of novel biobased Alginate/POTE handleable films via solvent vapor exposure M Mendez-López, A Ramos-Hernández, V Moreno-Serna, S Bonardd, ... International Journal of Biological Macromolecules 193, 258-268, 2021 | 4 | 2021 |
Applying Sanderson rules to the formation reaction of hydrogen-bonded dimers R Inostroza-Rivera, B Herrera, A Toro-Labbé Computational and Theoretical Chemistry 990, 222-226, 2012 | 3 | 2012 |
Zintl Lewis Superacids: Al(Ge9L3)3 (L = H, CH3, CHO, CN) R Inostroza-Rivera, R Parida, S Nambiar, S Giri The Journal of Physical Chemistry A 125 (13), 2751-2758, 2021 | 2 | 2021 |