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Organic Reactivity Made Easy and Accurate with Automated Multireference Calculations.
ACS Cent Sci. 2024 Mar 27;10(4):833-841. doi: 10.1021/acscentsci.3c01559. eCollection 2024 Apr 24.
ACS Cent Sci. 2024.
PMID: 38680571
Free PMC article.
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: wardzala jj.
Nanomaterials (Basel). 2023 Jun 2;13(11):1793. doi: 10.3390/nano13111793.
Nanomaterials (Basel). 2023.
PMID: 37299696
Free PMC article.
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Combined Deep Learning and Classical Potential Approach for Modeling Diffusion in UiO-66.
Achar SK, Wardzala JJ, Bernasconi L, Zhang L, Johnson JK.
Achar SK, et al. Among authors: wardzala jj.
J Chem Theory Comput. 2022 Jun 14;18(6):3593-3606. doi: 10.1021/acs.jctc.2c00010. Epub 2022 Jun 2.
J Chem Theory Comput. 2022.
PMID: 35653218
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Improved detection suggests all Merkel cell carcinomas harbor Merkel polyomavirus.
Rodig SJ, Cheng J, Wardzala J, DoRosario A, Scanlon JJ, Laga AC, Martinez-Fernandez A, Barletta JA, Bellizzi AM, Sadasivam S, Holloway DT, Cooper DJ, Kupper TS, Wang LC, DeCaprio JA.
Rodig SJ, et al. Among authors: wardzala j.
J Clin Invest. 2012 Dec;122(12):4645-53. doi: 10.1172/JCI64116. Epub 2012 Nov 1.
J Clin Invest. 2012.
PMID: 23114601
Free PMC article.
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