Karl T. Mueller - Search Results

Year	Number of Results
2002	1
2003	3
2005	1
2006	6
2007	3
2008	1
2009	2
2010	1
2012	1
2013	2
2014	3
2015	5
2016	6
2017	11
2018	2
2019	5
2020	5
2021	5
2022	3
2023	5
2024	0

1

Understanding the Surprising Ionic Conductivity Maximum in Zn(TFSI)₂ Water/Acetonitrile Mixture Electrolytes.

Zhang Y, Carino E, Hahn NT, Becknell N, Mars J, Han KS, Mueller KT, Toney M, Maginn EJ, Tepavcevic S. Zhang Y, et al. Among authors: mueller kt. J Phys Chem Lett. 2023 Dec 21;14(50):11393-11399. doi: 10.1021/acs.jpclett.3c03048. Epub 2023 Dec 11. J Phys Chem Lett. 2023. PMID: 38079154

2

Electrolyte Reactivity on the MgV₂O₄ Cathode Surface.

Jeong H, Nguyen DT, Yang Y, Buchholz DB, Evmenenko G, Guo J, Yang F, Redfern PC, Hu JZ, Mueller KT, Klie R, Murugesan V, Connell J, Prabhakaran V, Cheng L. Jeong H, et al. Among authors: mueller kt. ACS Appl Mater Interfaces. 2023 Oct 18;15(41):48072-48084. doi: 10.1021/acsami.3c07875. Epub 2023 Oct 8. ACS Appl Mater Interfaces. 2023. PMID: 37805993

3

A Perspective on Sustainable Computational Chemistry Software Development and Integration.

Di Felice R, Mayes ML, Richard RM, Williams-Young DB, Chan GK, de Jong WA, Govind N, Head-Gordon M, Hermes MR, Kowalski K, Li X, Lischka H, Mueller KT, Mutlu E, Niklasson AMN, Pederson MR, Peng B, Shepard R, Valeev EF, van Schilfgaarde M, Vlaisavljevich B, Windus TL, Xantheas SS, Zhang X, Zimmerman PM. Di Felice R, et al. Among authors: mueller kt. J Chem Theory Comput. 2023 Oct 24;19(20):7056-7076. doi: 10.1021/acs.jctc.3c00419. Epub 2023 Sep 28. J Chem Theory Comput. 2023. PMID: 37769271 Free PMC article.

4

Multi-Step Nucleation of a Crystalline Silicate Framework via a Structurally Precise Prenucleation Cluster.

Jin B, Chen Y, Tao J, Lachowski KJ, Bowden ME, Zhang Z, Pozzo LD, Washton NM, Mueller KT, De Yoreo JJ. Jin B, et al. Among authors: mueller kt. Angew Chem Int Ed Engl. 2023 Jul 10;62(28):e202303770. doi: 10.1002/anie.202303770. Epub 2023 May 25. Angew Chem Int Ed Engl. 2023. PMID: 37145989

5

Coordination-Dependent Chemical Reactivity of TFSI Anions at a Mg Metal Interface.

Prabhakaran V, Agarwal G, Howard JD, Wi S, Shutthanandan V, Nguyen DT, Soule L, Johnson GE, Liu YS, Yang F, Feng X, Guo J, Hankins K, Curtiss LA, Mueller KT, Assary RS, Murugesan V. Prabhakaran V, et al. Among authors: mueller kt. ACS Appl Mater Interfaces. 2023 Feb 8;15(5):7518-7528. doi: 10.1021/acsami.2c18477. Epub 2023 Jan 30. ACS Appl Mater Interfaces. 2023. PMID: 36715357

6

Understanding the Solvation-Dependent Properties of Cyclic Ether Multivalent Electrolytes Using High-Field NMR and Quantum Chemistry.

Hu JZ, Jaegers NR, Hahn NT, Hu W, Han KS, Chen Y, Sears JA, Murugesan V, Zavadil KR, Mueller KT. Hu JZ, et al. Among authors: mueller kt. JACS Au. 2022 Mar 21;2(4):917-932. doi: 10.1021/jacsau.2c00046. eCollection 2022 Apr 25. JACS Au. 2022. PMID: 35557755 Free PMC article.

7

An automated framework for high-throughput predictions of NMR chemical shifts within liquid solutions.

Atwi R, Chen Y, Han KS, Mueller KT, Murugesan V, Rajput NN. Atwi R, et al. Among authors: mueller kt. Nat Comput Sci. 2022 Feb;2(2):112-122. doi: 10.1038/s43588-022-00200-9. Epub 2022 Feb 28. Nat Comput Sci. 2022. PMID: 38177518

8

Concentration-dependent ion correlations impact the electrochemical behavior of calcium battery electrolytes.

Hahn NT, Self J, Driscoll DM, Dandu N, Han KS, Murugesan V, Mueller KT, Curtiss LA, Balasubramanian M, Persson KA, Zavadil KR. Hahn NT, et al. Among authors: mueller kt. Phys Chem Chem Phys. 2022 Jan 4;24(2):674-686. doi: 10.1039/d1cp04370f. Phys Chem Chem Phys. 2022. PMID: 34908060

9

Role of a Multivalent Ion-Solvent Interaction on Restricted Mg²⁺ Diffusion in Dimethoxyethane Electrolytes.

Chen Y, Atwi R, Han KS, Ryu J, Washton NM, Hu JZ, Rajput NN, Mueller KT, Murugesan V. Chen Y, et al. Among authors: mueller kt. J Phys Chem B. 2021 Nov 18;125(45):12574-12583. doi: 10.1021/acs.jpcb.1c08729. Epub 2021 Nov 8. J Phys Chem B. 2021. PMID: 34748339

10

Role of Polysulfide Anions in Solid-Electrolyte Interphase Formation at the Lithium Metal Surface in Li-S Batteries.

Hankins K, Prabhakaran V, Wi S, Shutthanandan V, Johnson GE, Roy S, Wang H, Shao Y, Thevuthasan S, Balbuena PB, Mueller KT, Murugesan V. Hankins K, et al. Among authors: mueller kt. J Phys Chem Lett. 2021 Sep 30;12(38):9360-9367. doi: 10.1021/acs.jpclett.1c01930. Epub 2021 Sep 22. J Phys Chem Lett. 2021. PMID: 34550703

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