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Cristian Celis-Barros
Cristian Celis-Barros
Verifierad e-postadress på ornl.gov
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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
532015
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
502018
Compression of curium pyrrolidine-dithiocarbamate enhances covalency
JM Sperling, EJ Warzecha, C Celis-Barros, DC Sergentu, X Wang, ...
Nature 583 (7816), 396-399, 2020
482020
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
452017
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
422019
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
352019
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
332018
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
312020
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
272021
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
242020
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
232021
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
212020
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
202021
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
202020
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
192021
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
192015
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
182019
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
182014
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
182012
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
172012
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Artiklar 1–20