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Phillpot, Simon R.
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1

Incorporation of Alkali Ions into Hydrated Copper Hexacyano..:

Wang, Ximeng ; Ta, An Tien ; Quemerais, Stéphen...
Chemistry of Materials.  , 2024
Link: https://doi.org/10.1021/..
 
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2

Binding of radionuclides and surrogate to 18-crown-6 ether ..:

Liu, Yuan ; Ta, An T. ; Park, Kyoung Chul...
Microporous and Mesoporous Materials.  364 (2024)  - p. 112882 , 2024
Link: https://doi.org/10.1016/..
 
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3

Microstructure, adsorption site energetics, and formation e..:

Birkner, Nancy ; Proust, Vanessa ; Schaeperkoetter, Joe...
Microporous and Mesoporous Materials.  373 (2024)  - p. 113110 , 2024
Link: https://doi.org/10.1016/..
 
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4

Phase-field model of char oxidation in ablative thermal pro..:

Sessim, Marina ; Shi, Linyuan ; Calvert, Timothy J...
Computational Materials Science.  233 (2024)  - p. 112713 , 2024
Link: https://doi.org/10.1016/..
 
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5

Friends or Foes: Fundamental Principles of Th-Organic Scaff..:

Lim, Jaewoong ; Park, Kyoung Chul ; Thaggard, Grace C....
Journal of the American Chemical Society.  146 (2024)  17 - p. 12155-12166 , 2024
Link: https://doi.org/10.1021/..
 
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6

Incorporating solvent effects in DFT: insights from cation ..:

Ta, An T. ; Daouli, Ayoub ; Ullberg, R. Seaton...
Physical Chemistry Chemical Physics.  26 (2024)  20 - p. 14561-14572 , 2024
Link: https://doi.org/10.1039/..
 
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7

Preferential interlayer adsorption sites in phyllosilicate ..:

Ullberg, R. Seaton ; Ta, An T. ; Phillpot, Simon R.
Applied Clay Science.  254 (2024)  - p. 107401 , 2024
Link: https://doi.org/10.1016/..
 
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8

Dislocation formation in the heteroepitaxial growth of PbSe..:

Li, Yang ; Gu, Boyang ; Diaz, Adrian...
Acta Materialia.  260 (2023)  - p. 119308 , 2023
Link: https://doi.org/10.1016/..
 
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9

Binding of uranyl cations to a Zr-based metal-organic frame..:

Liu, Yuan ; Ta, An T. ; Pandey, Shubham...
Computational Materials Science.  230 (2023)  - p. 112528 , 2023
Link: https://doi.org/10.1016/..
 
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10

Surface reconstruction and cleavage of phyllosilicate clay ..:

Ta, An T. ; Ullberg, R. Seaton ; Phillpot, Simon R.
Applied Clay Science.  246 (2023)  - p. 107178 , 2023
Link: https://doi.org/10.1016/..
 
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11

Migration velocities of intergranular He gas bubbles under ..:

Shen, Yixi ; Wen, Peng ; Ta, An T...
Journal of Nuclear Materials.  585 (2023)  - p. 154606 , 2023
Link: https://doi.org/10.1016/..
 
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12

A phase-field study of stainless-steel oxidation from high-..:

Wu, Xueyang ; Abdallah, Iman ; Jiang, Wen...
Computational Materials Science.  218 (2023)  - p. 111996 , 2023
Link: https://doi.org/10.1016/..
 
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13

LaMnO3 Dopants for Efficient Thermochemical Water Splitting..:

Wang, Ximeng ; Goyal, Anuj ; Zhou, Peng...
The Journal of Physical Chemistry C.  127 (2023)  49 - p. 23988-24000 , 2023
Link: https://doi.org/10.1021/..
 
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14

Energetics and diffusion kinetics of point defects in MnCr2..:

Ullberg, R. Seaton ; Wu, Xueyang ; Tonks, Michael R..
Journal of Physics and Chemistry of Solids.  181 (2023)  - p. 111519 , 2023
Link: https://doi.org/10.1016/..
 
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15

Molecular dynamics simulation of the shock response of mate..:

Wen, Peng ; Tao, Gang ; Spearot, Douglas E..
Journal of Applied Physics.  131 (2022)  5 - p. , 2022
Link: https://doi.org/10.1063/..
 
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