Siepmann JI - Search Results

1

A Nanocavitation Approach to Understanding Water Capture, Water Release, and Framework Physical Stability in Hierarchically Porous MOFs.

Liu J, Prelesnik JL, Patel R, Kramar BV, Wang R, Malliakas CD, Chen LX, Siepmann JI, Hupp JT. Liu J, et al. Among authors: siepmann ji. J Am Chem Soc. 2023 Dec 27;145(51):27975-27983. doi: 10.1021/jacs.3c07624. Epub 2023 Dec 12. J Am Chem Soc. 2023. PMID: 38085867

2

From Order to Disorder: Computational Design of Triblock Amphiphiles with 1 nm Domains.

Shen Z, Chen JL, Vernadskaia V, Ertem SP, Mahanthappa MK, Hillmyer MA, Reineke TM, Lodge TP, Siepmann JI. Shen Z, et al. Among authors: siepmann ji. J Am Chem Soc. 2020 May 20;142(20):9352-9362. doi: 10.1021/jacs.0c01829. Epub 2020 May 11. J Am Chem Soc. 2020. PMID: 32392052

3

Influence of 1-Butene Adsorption on the Dimerization Activity of Single Metal Cations on UiO-66 Nodes.

Löbbert L, Chheda S, Zheng J, Khetrapal N, Schmid J, Zhao R, Gaggioli CA, Camaioni DM, Bermejo-Deval R, Gutiérrez OY, Liu Y, Siepmann JI, Neurock M, Gagliardi L, Lercher JA. Löbbert L, et al. Among authors: siepmann ji. J Am Chem Soc. 2023 Jan 18;145(2):1407-1422. doi: 10.1021/jacs.2c12192. Epub 2023 Jan 4. J Am Chem Soc. 2023. PMID: 36598430

4

Shaping the Water-Harvesting Behavior of Metal-Organic Frameworks Aided by Fine-Tuned GPT Models.

Zheng Z, Alawadhi AH, Chheda S, Neumann SE, Rampal N, Liu S, Nguyen HL, Lin YH, Rong Z, Siepmann JI, Gagliardi L, Anandkumar A, Borgs C, Chayes JT, Yaghi OM. Zheng Z, et al. Among authors: siepmann ji. J Am Chem Soc. 2023 Dec 27;145(51):28284-28295. doi: 10.1021/jacs.3c12086. Epub 2023 Dec 13. J Am Chem Soc. 2023. PMID: 38090755

5

Large-scale molecular dynamics simulations of bubble collapse in water: Effects of system size, water model, and nitrogen.

Chen JL, Prelesnik JL, Liang B, Sun Y, Bhatt M, Knight C, Mahesh K, Siepmann JI. Chen JL, et al. Among authors: siepmann ji. J Chem Phys. 2023 Dec 14;159(22):224505. doi: 10.1063/5.0181781. J Chem Phys. 2023. PMID: 38095201

6

ZIF-8 Vibrational Spectra: Peak Assignments and Defect Signals.

Ahmad M, Patel R, Lee DT, Corkery P, Kraetz A, Prerna, Tenney SA, Nykypanchuk D, Tong X, Siepmann JI, Tsapatsis M, Boscoboinik JA. Ahmad M, et al. Among authors: siepmann ji. ACS Appl Mater Interfaces. 2024 May 16. doi: 10.1021/acsami.4c02396. Online ahead of print. ACS Appl Mater Interfaces. 2024. PMID: 38753657

7

Elucidating the vibrational spectra of hydrogen-bonded aggregates in solution: electronic structure calculations with implicit solvent and first-principles molecular dynamics simulations with explicit solvent for 1-hexanol in n-hexane.

Stubbs JM, Siepmann JI. Stubbs JM, et al. Among authors: siepmann ji. J Am Chem Soc. 2005 Apr 6;127(13):4722-9. doi: 10.1021/ja044380q. J Am Chem Soc. 2005. PMID: 15796539

8

Critical properties of aluminum.

Bhatt D, Jasper AW, Schultz NE, Siepmann JI, Truhlar DG. Bhatt D, et al. Among authors: siepmann ji. J Am Chem Soc. 2006 Apr 5;128(13):4224-5. doi: 10.1021/ja0577950. J Am Chem Soc. 2006. PMID: 16568986

9

Importance of the number of acid molecules and the strength of the base for double-ion formation in (H2SO4)m x base x (H2O)6 clusters.

Anderson KE, Siepmann JI, McMurry PH, VandeVondele J. Anderson KE, et al. Among authors: siepmann ji. J Am Chem Soc. 2008 Oct 29;130(43):14144-7. doi: 10.1021/ja8019774. Epub 2008 Oct 1. J Am Chem Soc. 2008. PMID: 18826224

10

Understanding the sensitivity of nucleation free energies: The role of supersaturation and temperature.

Keasler SJ, Siepmann JI. Keasler SJ, et al. Among authors: siepmann ji. J Chem Phys. 2015 Oct 28;143(16):164516. doi: 10.1063/1.4934220. J Chem Phys. 2015. PMID: 26520536

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