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Year | Number of Results |
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2021 | 2 |
2022 | 1 |
2023 | 3 |
2024 | 0 |
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Page 1
Use of FLOSIC for understanding anion-solvent interactions.
J Chem Phys. 2023 Oct 21;159(15):154112. doi: 10.1063/5.0172300.
J Chem Phys. 2023.
PMID: 37861122
Identifying UiO-67 Metal-Organic Framework Defects and Binding Sites through Ammonia Adsorption.
Swaroopa Datta Devulapalli V, McDonnell RP, Ruffley JP, Shukla PB, Luo TY, De Souza ML, Das P, Rosi NL, Karl Johnson J, Borguet E.
Swaroopa Datta Devulapalli V, et al. Among authors: shukla pb.
ChemSusChem. 2022 Jan 10;15(1):e202102217. doi: 10.1002/cssc.202102217. Epub 2021 Dec 2.
ChemSusChem. 2022.
PMID: 34725931
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In Situ Nuclear Magnetic Resonance Investigation of Molecular Adsorption and Kinetics in Metal-Organic Framework UiO-66.
An Y, Kleinhammes A, Doyle P, Chen EY, Song Y, Morris AJ, Gibbons B, Cai M, Johnson JK, Shukla PB, Vo MN, Wei X, Wilmer CE, Ruffley JP, Huang L, Tovar TM, Mahle JJ, Karwacki CJ, Wu Y.
An Y, et al. Among authors: shukla pb.
J Phys Chem Lett. 2021 Jan 21;12(2):892-899. doi: 10.1021/acs.jpclett.0c03504. Epub 2021 Jan 12.
J Phys Chem Lett. 2021.
PMID: 33434023
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Calculation of Self, Corrected, and Transport Diffusivities of Isopropyl Alcohol in UiO-66.
Mhatre CV, Wardzala JJ, Shukla PB, Agrawal M, Johnson JK.
Mhatre CV, et al. Among authors: shukla pb.
Nanomaterials (Basel). 2023 Jun 2;13(11):1793. doi: 10.3390/nano13111793.
Nanomaterials (Basel). 2023.
PMID: 37299696
Free PMC article.
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How Do Self-Interaction Errors Associated with Stretched Bonds Affect Barrier Height Predictions?
Shukla PB, Mishra P, Baruah T, Zope RR, Jackson KA, Johnson JK.
Shukla PB, et al.
J Phys Chem A. 2023 Feb 23;127(7):1750-1759. doi: 10.1021/acs.jpca.2c07894. Epub 2023 Feb 14.
J Phys Chem A. 2023.
PMID: 36787213
Free PMC article.
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