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Maginn, Edward J.
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1

Impact of fluorination on Li+ solvation and dynamics in ion..:

Penley, Drace ; Gerber, Hazel ; Garaga, Mounesha N....
Journal of Power Sources.  593 (2024)  - p. 233984 , 2024
Link: https://doi.org/10.1016/..
 
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2

Stochastic machine learning via sigma profiles to build a d..:

Abranches, Dinis O. ; Maginn, Edward J. ; Colón, Yamil J.
Proceedings of the National Academy of Sciences.  121 (2024)  31 - p. , 2024
Link: https://doi.org/10.1073/..
 
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3

Interaction Between Endocrine Disruptors and Polyethylene N..:

Oliveira, Yamara Matos ; Vernin, Nathalia Salles ; Zhang, Yong..
The Journal of Physical Chemistry B.  128 (2024)  8 - p. 2045-2052 , 2024
Link: https://doi.org/10.1021/..
 
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4

GAFF-Based Polarizable Force Field Development and Validati..:

Wang, Ning ; Maginn, Edward J.
The Journal of Physical Chemistry B.  128 (2024)  3 - p. 871-881 , 2024
Link: https://doi.org/10.1021/..
 
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5

Symmetry versus asymmetry game in vaporization enthalpies o..:

Verevkin, Sergey P. ; Zaitsau, Dzmitry H. ; Nagrimanov, Ruslan N....
Journal of Molecular Liquids.  395 (2024)  - p. 123850 , 2024
Link: https://doi.org/10.1016/..
 
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6

Chain length and OH-spacing effects on diol-based deep eute..:

Pandian, Rathiesh ; Kim, Daniel ; Zhang, Yong...
Journal of Molecular Liquids.  393 (2024)  - p. 123534 , 2024
Link: https://doi.org/10.1016/..
 
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7

Consistent and reproducible computation of the glass transi..:

Carmona Esteva, Fernando J. ; Zhang, Yong ; Maginn, Edward J..
The Journal of Chemical Physics.  161 (2024)  1 - p. , 2024
Link: https://doi.org/10.1063/..
 
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8

Ionic Liquids for the Separation of Fluorocarbon Refrigeran..:

Baca, Kalin R. ; Al-Barghouti, Karim ; Wang, Ning...
Chemical Reviews.  124 (2024)  9 - p. 5167-5226 , 2024
Link: https://doi.org/10.1021/..
 
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9

Effect of Antisolvent Additives in Aqueous Zinc Sulfate Ele..:

Ilic, Stefan ; Counihan, Michael J. ; Lavan, Sydney N....
ACS Energy Letters.  9 (2023)  1 - p. 201-208 , 2023
Link: https://doi.org/10.1021/..
 
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10

Rapid screening of gas solubility in ionic liquids using bi..:

Smith, Ryan W. ; Maginn, Edward J.
Molecular Simulation.  50 (2023)  1 - p. 26-42 , 2023
Link: https://doi.org/10.1080/..
 
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11

Revisiting the pseudo-supercritical path method: An improve..:

Correa, Gabriela B. ; Zhang, Yong ; Abreu, Charlles R. A...
The Journal of Chemical Physics.  159 (2023)  10 - p. , 2023
Link: https://doi.org/10.1063/..
 
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12

Tribute to Doros N. Theodorou:

Maginn, Edward J. ; Economou, Ioannis G. ; Snurr, Randall Q..
The Journal of Physical Chemistry B.  127 (2023)  12 - p. 2639-2642 , 2023
Link: https://doi.org/10.1021/..
 
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13

Molecular Dynamics Simulation of the Influence of External ..:

Carmona Esteva, Fernando J. ; Zhang, Yong ; Colón, Yamil J..
The Journal of Physical Chemistry B.  127 (2023)  20 - p. 4623-4632 , 2023
Link: https://doi.org/10.1021/..
 
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14

Data science for thermodynamic modeling: Case study for ion..:

Befort, Bridgette J. ; Garciadiego, Alejandro ; Wang, Jialu...
Fluid Phase Equilibria.  572 (2023)  - p. 113833 , 2023
Link: https://doi.org/10.1016/..
 
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15

Activity coefficient acquisition with thermodynamics‐inform..:

Abranches, Dinis O. ; Maginn, Edward J. ; Colón, Yamil J.
AIChE Journal.  69 (2023)  8 - p. , 2023
Link: https://doi.org/10.1002/..
 
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