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Physical Chemistry Chemical Physics : PCCP
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March 11, 2020
Hierarchical phenomena in multicomponent liquids: simulation methods, analysis, chemistry
Michael J Servis, Ernesto Martinez-Baez, Aurora E Clark
Journal of Chemical Theory and Computation
|
August 17, 2023
Improving One-Electron Exact-Two-Component Relativistic Methods with the Dirac-Coulomb-Breit-Parameterized Effective Spin-Orbit Coupling
Jordan Ehrman, Ernesto Martinez-Baez, Andrew J Jenkins, et al.
The Journal of Chemical Physics
|
April 8, 2019
PageRank as a collective variable to study complex chemical transformations and their energy landscapes
Tiecheng Zhou, Ernesto Martinez-Baez, Gregory Schenter, et al.
The Journal of Chemical Physics
|
April 10, 2020
Al27 NMR chemical shift of Al(OH)<sub>4</sub> <sup>-</sup> calculated from first principles: Assessment of error cancellation in chemically distinct reference and target systems
Ernesto Martinez-Baez, Rulin Feng, Carolyn I Pearce, et al.
The Journal of Physical Chemistry Letters
|
April 20, 2018
Anticorrelated Contributions to Pre-edge Features of Aluminate Near-Edge X-ray Absorption Spectroscopy in Concentrated Electrolytes
Andrew Wildman, Ernesto Martinez-Baez, John Fulton, et al.
Journal of Chemical Theory and Computation
|
February 28, 2022
Behavior of Linear and Nonlinear Dimensionality Reduction for Collective Variable Identification of Small Molecule Solution-Phase Reactions
Hung M Le, Sushant Kumar, Nathan May, et al.
Inorganic Chemistry
|
November 30, 2020
Mechanisms of Al<sup>3+</sup> Dimerization in Alkaline Solutions
Maxime Pouvreau, Ernesto Martinez-Baez, Mateusz Dembowski, et al.
Inorganic Chemistry
|
March 9, 2016
Structural Environment and Stability of the Complexes Formed Between Calmodulin and Actinyl Ions
Florian Brulfert, Samir Safi, Aurélie Jeanson, et al.
Inorganic Chemistry
|
July 24, 2018
In Situ <sup>27</sup>Al NMR Spectroscopy of Aluminate in Sodium Hydroxide Solutions above and below Saturation with Respect to Gibbsite
Trent R Graham, Mateusz Dembowski, Ernesto Martinez-Baez, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
Physical Chemistry Chemical Physics : PCCP
|
March 11, 2020
Hierarchical phenomena in multicomponent liquids: simulation methods, analysis, chemistry
Michael J Servis, Ernesto Martinez-Baez, Aurora E Clark
Journal of Chemical Theory and Computation
|
August 17, 2023
Improving One-Electron Exact-Two-Component Relativistic Methods with the Dirac-Coulomb-Breit-Parameterized Effective Spin-Orbit Coupling
Jordan Ehrman, Ernesto Martinez-Baez, Andrew J Jenkins, et al.
The Journal of Chemical Physics
|
April 8, 2019
PageRank as a collective variable to study complex chemical transformations and their energy landscapes
Tiecheng Zhou, Ernesto Martinez-Baez, Gregory Schenter, et al.
The Journal of Chemical Physics
|
April 10, 2020
Al27 NMR chemical shift of Al(OH)<sub>4</sub> <sup>-</sup> calculated from first principles: Assessment of error cancellation in chemically distinct reference and target systems
Ernesto Martinez-Baez, Rulin Feng, Carolyn I Pearce, et al.
The Journal of Physical Chemistry Letters
|
April 20, 2018
Anticorrelated Contributions to Pre-edge Features of Aluminate Near-Edge X-ray Absorption Spectroscopy in Concentrated Electrolytes
Andrew Wildman, Ernesto Martinez-Baez, John Fulton, et al.
Journal of Chemical Theory and Computation
|
February 28, 2022
Behavior of Linear and Nonlinear Dimensionality Reduction for Collective Variable Identification of Small Molecule Solution-Phase Reactions
Hung M Le, Sushant Kumar, Nathan May, et al.
Inorganic Chemistry
|
November 30, 2020
Mechanisms of Al<sup>3+</sup> Dimerization in Alkaline Solutions
Maxime Pouvreau, Ernesto Martinez-Baez, Mateusz Dembowski, et al.
Inorganic Chemistry
|
March 9, 2016
Structural Environment and Stability of the Complexes Formed Between Calmodulin and Actinyl Ions
Florian Brulfert, Samir Safi, Aurélie Jeanson, et al.
Inorganic Chemistry
|
July 24, 2018
In Situ <sup>27</sup>Al NMR Spectroscopy of Aluminate in Sodium Hydroxide Solutions above and below Saturation with Respect to Gibbsite
Trent R Graham, Mateusz Dembowski, Ernesto Martinez-Baez, et al.
Page
of 1