| ZIF-67 framework: a promising new candidate for propylene/propane separation. experimental data and molecular simulations P Krokidas, M Castier, S Moncho, DN Sredojevic, EN Brothers, HT Kwon, ... The Journal of Physical Chemistry C 120 (15), 8116-8124, 2016 | 142 | 2016 |
| Molecular simulation studies of the diffusion of methane, ethane, propane, and propylene in ZIF-8 P Krokidas, M Castier, S Moncho, E Brothers, IG Economou The Journal of Physical Chemistry C 119 (48), 27028-27037, 2015 | 124 | 2015 |
| Relativistic Zeroth-Order Regular Approximation Combined with Nonhybrid and Hybrid Density Functional Theory: Performance for NMR Indirect Nuclear Spin− Spin Coupling in Heavy … S Moncho, J Autschbach Journal of Chemical Theory and Computation 6 (1), 223-234, 2010 | 74 | 2010 |
| Ring opening metathesis polymerization (ROMP) of five‐to eight‐membered cyclic olefins: Computational, thermodynamic, and experimental approach AR Hlil, J Balogh, S Moncho, HL Su, R Tuba, EN Brothers, M Al‐Hashimi, ... Journal of Polymer Science Part A: Polymer Chemistry 55 (18), 3137-3145, 2017 | 72 | 2017 |
| Tailoring the gas separation efficiency of metal organic framework ZIF-8 through metal substitution: a computational study P Krokidas, S Moncho, EN Brothers, M Castier, IG Economou Physical Chemistry Chemical Physics 20 (7), 4879-4892, 2018 | 62 | 2018 |
| When Are Tricoordinated PdII Species Accessible? Stability Trends and Mechanistic Consequences S Moncho, G Ujaque, A Lledós, P Espinet Chemistry–A European Journal 14 (29), 8986-8994, 2008 | 58 | 2008 |
| Catalysis and Mechanism of H2 Release from Amine-Boranes by Diiron Complexes AM Lunsford, JH Blank, S Moncho, SC Haas, S Muhammad, EN Brothers, ... Inorganic Chemistry 55 (2), 964-973, 2016 | 43 | 2016 |
| On the efficient separation of gas mixtures with the mixed-linker zeolitic-imidazolate framework-7-8 P Krokidas, S Moncho, EN Brothers, M Castier, HK Jeong, IG Economou ACS applied materials & interfaces 10 (46), 39631-39644, 2018 | 38 | 2018 |
| Cyclopalladation and Reactivity of Amino Esters through C H Bond Activation: Experimental, Kinetic, and Density Functional Theory Mechanistic Studies E Laga, A García‐Montero, FJ Sayago, T Soler, S Moncho, C Cativiela, ... Chemistry–A European Journal 19 (51), 17398-17412, 2013 | 37 | 2013 |
| Proton-transfer reactions to half-sandwich ruthenium trihydride complexes bearing hemilabile P, N ligands: experimental and density functional theory studies M Jiménez-Tenorio, MC Puerta, P Valerga, S Moncho, G Ujaque, ... Inorganic chemistry 49 (13), 6035-6057, 2010 | 34 | 2010 |
| Experimental and Computational Studies on the Iridium Activation of Aliphatic and Aromatic C H Bonds of Alkyl Aryl Ethers and Related Molecules P Lara, M Paneque, ML Poveda, LL Santos, JEV Valpuesta, E Carmona, ... Chemistry–A European Journal 15 (36), 9034-9045, 2009 | 34 | 2009 |
| Molecular orbital analysis of the inverse halogen dependence of nuclear magnetic shielding in LaX3, X = F, Cl, Br, I S Moncho, J Autschbach Magnetic Resonance in Chemistry 48 (S1), S76-S85, 2010 | 33 | 2010 |
| Computational Study of the Palladium‐Catalyzed Carbonylative Synthesis of Aromatic Acid Chlorides: The Synergistic Effect of PtBu3 and CO on Reductive … JS Quesnel, S Moncho, KEO Ylijoki, GM Torres, EN Brothers, AA Bengali, ... Chemistry–A European Journal 22 (42), 15107-15118, 2016 | 32 | 2016 |
| Synthetic, mechanistic, and theoretical studies on the generation of iridium hydride alkylidene and iridium hydride alkene isomers P Lara, M Paneque, ML Poveda, LL Santos, JEV Valpuesta, V Salazar, ... Chemistry–A European Journal 15 (36), 9046-9057, 2009 | 30 | 2009 |
| When Hartree-Fock exchange admixture lowers DFT-predicted barrier heights: Natural bond orbital analyses and implications for catalysis A Mahler, BG Janesko, S Moncho, EN Brothers The Journal of chemical physics 148 (24), 2018 | 28 | 2018 |
| Reactions of gold (III) complexes with alkenes in aqueous media: generation of bis-(β-hydroxyalkyl) gold (III) complexes CE Rezsnyak, J Autschbach, JD Atwood, S Moncho Journal of Coordination Chemistry 66 (7), 1153-1165, 2013 | 24 | 2013 |
| Delayed Linker Addition (DLA) Synthesis for Hybrid SOD ZIFs with Unsubstituted Imidazolate Linkers for Propylene/Propane and n‐Butane/i‐Butane Separations F Hillman, MRA Hamid, P Krokidas, S Moncho, EN Brothers, ... Angewandte Chemie International Edition 60 (18), 10103-10111, 2021 | 23 | 2021 |
| Green light-responsive CO-releasing polymeric materials derived from ring-opening metathesis polymerization UR Gandra, A Sinopoli, S Moncho, M NandaKumar, DB Ninković, ... ACS applied materials & interfaces 11 (37), 34376-34384, 2019 | 23 | 2019 |
| Dehydrogenation of a tertiary amine-borane by a rhenium complex S Muhammad, S Moncho, EN Brothers, AA Bengali Chemical Communications 50 (44), 5874-5877, 2014 | 23 | 2014 |
| Defining new limits in gas separations using modified ZIF systems P Krokidas, S Moncho, EN Brothers, IG Economou ACS applied materials & interfaces 12 (18), 20536-20547, 2020 | 22 | 2020 |
