Revealing monoamine oxidase B catalytic mechanisms by means of the quantum chemical cluster approach G Zapata-Torres, A Fierro, G Barriga-González, JC Salgado, ... Journal of Chemical Information and Modeling 55 (7), 1349-1360, 2015 | 53 | 2015 |
Experimental and theoretical comparison of transition-metal and actinide tetravalent Schiff base coordination complexes BE Klamm, CJ Windorff, C Celis-Barros, ML Marsh, DS Meeker, ... Inorganic Chemistry 57 (24), 15389-15398, 2018 | 50 | 2018 |
Compression of curium pyrrolidine-dithiocarbamate enhances covalency JM Sperling, EJ Warzecha, C Celis-Barros, DC Sergentu, X Wang, ... Nature 583 (7816), 396-399, 2020 | 48 | 2020 |
Electronic structure and properties of berkelium iodates MA Silver, SK Cary, AJ Garza, RE Baumbach, AA Arico, GA Galmin, ... Journal of the American Chemical Society 139 (38), 13361-13375, 2017 | 45 | 2017 |
Origin of selectivity of a triazinyl ligand for americium (III) over neodymium (III) D Dan, C Celis‐Barros, FD White, JM Sperling, TE Albrecht‐Schmitt Chemistry–A European Journal 25 (13), 3248-3252, 2019 | 42 | 2019 |
Synthesis, spectroscopy, and theoretical details of uranyl Schiff-base coordination complexes BE Klamm, CJ Windorff, C Celis-Barros, ML Marsh, TE Albrecht-Schmitt Inorganic Chemistry 59 (1), 23-31, 2019 | 35 | 2019 |
Examination of structure and bonding in 10-coordinate europium and americium terpyridyl complexes FD White, AN Gaiser, EJ Warzecha, JM Sperling, C Celis-Barros, ... Inorganic Chemistry 57 (20), 12969-12975, 2018 | 33 | 2018 |
Trivalent f-element squarates, squarate-oxalates, and cationic materials, and the determination of the nine-coordinate ionic radius of Cf (III) N Brenner, JM Sperling, TN Poe, C Celis-Barros, K Brittain, EM Villa, ... Inorganic Chemistry 59 (13), 9384-9395, 2020 | 31 | 2020 |
Understanding the stabilization and tunability of divalent europium 2.2. 2B cryptates TN Poe, MJ Beltrán-Leiva, C Celis-Barros, WL Nelson, JM Sperling, ... Inorganic Chemistry 60 (11), 7815-7826, 2021 | 27 | 2021 |
Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris (tricyclohexylphosphine oxide) complexes CJ Windorff, C Celis-Barros, JM Sperling, NC McKinnon, ... Chemical Science 11 (10), 2770-2782, 2020 | 24 | 2020 |
Creation of an unexpected plane of enhanced covalency in cerium (III) and berkelium (III) terpyridyl complexes AN Gaiser, C Celis-Barros, FD White, MJ Beltran-Leiva, JM Sperling, ... Nature communications 12 (1), 7230, 2021 | 23 | 2021 |
Exploring the oxidation states of neptunium with Schiff base coordination complexes BE Klamm, CJ Windorff, C Celis-Barros, MJ Beltran-Leiva, JM Sperling, ... Inorganic chemistry 59 (24), 18035-18047, 2020 | 21 | 2020 |
Influence of outer-sphere anions on the photoluminescence from samarium (II) crown complexes TN Poe, S Molinari, MJ Beltran-Leiva, C Celis-Barros, H Ramanantoanina, ... Inorganic Chemistry 60 (20), 15196-15207, 2021 | 20 | 2021 |
Structure and Characterization of an Americium Bis(O,O’-diethyl)dithiophosphate Complex RDM Greer, C Celis-Barros, JM Sperling, AN Gaiser, CJ Windorff, ... Inorganic Chemistry 59 (22), 16291-16300, 2020 | 20 | 2020 |
Influence of uranyl complexation on the reaction kinetics of the dodecane radical cation with used nuclear fuel extraction ligands (TBP, DEHBA, and DEHiBA) CC Barros, CD Pilgrim, AR Cook, SP Mezyk, TS Grimes, GP Horne Physical Chemistry Chemical Physics 23 (43), 24589-24597, 2021 | 19 | 2021 |
Molecular dynamics simulation of halogen bonding mimics experimental data for cathepsin L inhibition C Celis-Barros, L Saavedra-Rivas, JC Salgado, BK Cassels, ... Journal of computer-aided molecular design 29, 37-46, 2015 | 19 | 2015 |
Molecular and electronic structure, and hydrolytic reactivity of a samarium (II) crown ether complex FD White, C Celis-Barros, J Rankin, E Solís-Céspedes, D Dan, AN Gaiser, ... Inorganic chemistry 58 (5), 3457-3465, 2019 | 18 | 2019 |
Detecting Ni (II) in aqueous solution by 3-(2-pyridyl)-[1, 2, 3] triazolo [1, 5-a] pyridine and dimethyl-β-cyclodextrin C Jullian, S Fernández-Sandoval, M Rojas-Aranguiz, H Gómez-Machuca, ... Carbohydrate polymers 107, 124-131, 2014 | 18 | 2014 |
Influence of protonation on substrate and inhibitor interactions at the active site of human monoamine oxidase-a G Zapata-Torres, A Fierro, S Miranda-Rojas, C Guajardo, P Saez-Briones, ... Journal of chemical information and modeling 52 (5), 1213-1221, 2012 | 18 | 2012 |
Synthesis, 5-hydroxytryptamine1A receptor affinity and docking studies of 3-[3-(4-aryl-1-piperazinyl)-propyl]-1H-indole derivatives H Pessoa-Mahana, CU Núñez, R Araya-Maturana, CS Barría, ... Chemical and Pharmaceutical Bulletin 60 (5), 632-638, 2012 | 17 | 2012 |