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Maginn, Edward J.
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1

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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2

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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3

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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4

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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5

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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6

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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7

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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8

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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9

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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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

Alchemical Free Energy and Hamiltonian Replica Exchange Mol..:

Wang, Ning ; DeFever, Ryan S. ; Maginn, Edward J.
Journal of Chemical Theory and Computation.  19 (2023)  11 - p. 3324-3335 , 2023
Link: https://doi.org/10.1021/..
 
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12

Quantum Chemical Modeling of Propellant Degradation:

Galvez Vallejo, Jorge L. ; Tow, Garrett M. ; Maginn, Edward J....
The Journal of Physical Chemistry A.  127 (2023)  8 - p. 1874-1882 , 2023
Link: https://doi.org/10.1021/..
 
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13

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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14

Machine Learning-Enabled Development of Accurate Force Fiel..:

Wang, Ning ; Carlozo, Montana N. ; Marin-Rimoldi, Eliseo...
Journal of Chemical Theory and Computation.  , 2023
Link: https://doi.org/10.1021/..
 
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15

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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