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Ernesto Martinez Baez
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In Situ 27Al NMR Spectroscopy of Aluminate in Sodium Hydroxide Solutions above and below Saturation with Respect to Gibbsite
TR Graham, M Dembowski, E Martinez-Baez, X Zhang, NR Jaegers, J Hu, ...
Inorganic chemistry 57 (19), 11864-11873, 2018
392018
Structural environment and stability of the complexes formed between calmodulin and actinyl ions
F Brulfert, S Safi, A Jeanson, E Martinez-Baez, J Roques, C Berthomieu, ...
Inorganic Chemistry 55 (6), 2728-2736, 2016
252016
PageRank as a collective variable to study complex chemical transformations and their energy landscapes
T Zhou, E Martinez-Baez, G Schenter, AE Clark
The Journal of chemical physics 150 (13), 2019
142019
Hierarchical phenomena in multicomponent liquids: simulation methods, analysis, chemistry
MJ Servis, E Martinez-Baez, AE Clark
Physical Chemistry Chemical Physics 22 (18), 9850-9874, 2020
132020
Mechanisms of Al3+ Dimerization in Alkaline Solutions
M Pouvreau, E Martinez-Baez, M Dembowski, CI Pearce, GK Schenter, ...
Inorganic Chemistry 59 (24), 18181-18189, 2020
122020
Anticorrelated contributions to pre-edge features of aluminate near-edge X-ray absorption spectroscopy in concentrated electrolytes
A Wildman, E Martinez-Baez, J Fulton, G Schenter, C Pearce, AE Clark, ...
The Journal of Physical Chemistry Letters 9 (10), 2444-2449, 2018
122018
Solvent Extraction through the Lens of Advanced Modeling and Simulation
AE Clark, MJ Servis, Z Liu, E Martinez-Baez, J Su, ER Batista, P Yang, ...
Ion Exchange and Solvent Extraction, 147-218, 2019
102019
A homoleptic chromium (iii) carboxylate
OL Sydora, RT Hart, NA Eckert, EM Baez, AE Clark, CJ Benmore
Dalton Transactions 47 (14), 4790-4793, 2018
82018
Improving One-Electron Exact-Two-Component Relativistic Methods with the Dirac–Coulomb–Breit-Parameterized Effective Spin–Orbit Coupling
J Ehrman, E Martinez-Baez, AJ Jenkins, X Li
Journal of Chemical Theory and Computation 19 (17), 5785-5790, 2023
52023
Al27 NMR chemical shift of Al (OH) 4− calculated from first principles: Assessment of error cancellation in chemically distinct reference and target systems
E Martinez-Baez, R Feng, CI Pearce, GK Schenter, AE Clark
The Journal of Chemical Physics 152 (13), 2020
42020
Synthesis and evaluation of ferragels as prospective solid 99mTc radiotracers
E Martínez-Baez, J Domínguez, MS Ortega-Pijeira, Y Tejeda-Mazola, ...
Journal of Radioanalytical and Nuclear Chemistry 304, 267-272, 2015
32015
Behavior of Linear and Nonlinear Dimensionality Reduction for Collective Variable Identification of Small Molecule Solution-Phase Reactions
HM Le, S Kumar, N May, E Martinez-Baez, R Sundararaman, ...
Journal of Chemical Theory and Computation 18 (3), 1286-1296, 2022
22022
Data for EMSL Project 49771 from February 2022
K Rosso, Z Wang, G Schenter, S Clark, J Hu, B Ginovska, A Felmy, ...
Pacific Northwest National Laboratory (PNNL), Richland, WA (United States …, 2022
2022
Extraction of {sup 99m} TcO {sub 4}-eluted from the {sup 99} Mo/{sup 99m} Tc generator using different formulations of TBP-TOA/cyclohexane as solvent mixture; Extracción del …
J Dominguez Catasus, MS Ortega Pijeira, E Martinez Baez, ...
Nucleus (Havana), 2014
2014
Extraction of the mixture {sup 99mT} cO {sub 4}{sup-} tributilfosfato-30% 16% trioctylamine in cyclohexane evaluation of radiotracer obtained; Extraccion de {sup 99} m {sup T …
MS Ortega Pijeira, J Dominguez Catasus, E Martinez Baez, ...
Revista CENIC Ciencias Quimicas 45, 2014
2014
Extraction of the mixture 99mTcO4- tributilfosfato- 30% 16% trioctylamine in cyclohexane evaluation of radiotracer obtained
MS Ortega Pijeira, J Dominguez Catasus, E Martinez Baez, ...
Revista CENIC Ciencias Quimicas 45 (special issue), 60-65, 2014
2014
Extraction of 99mTcO4- eluted from the 99Mo /99mTc generator using different formulations of TBP-TOA/cyclohexane as solvent mixture
J Dominguez Catasus, MS Ortega Pijeira, E Martinez Baez, ...
Nucleus (Havana), 1-6, 2014
2014
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