Siepmann JI - Search Results

1

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

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

MOF Linker Extension Strategy for Enhanced Atmospheric Water Harvesting.

Hanikel N, Kurandina D, Chheda S, Zheng Z, Rong Z, Neumann SE, Sauer J, Siepmann JI, Gagliardi L, Yaghi OM. Hanikel N, et al. Among authors: siepmann ji. ACS Cent Sci. 2023 Mar 6;9(3):551-557. doi: 10.1021/acscentsci.3c00018. eCollection 2023 Mar 22. ACS Cent Sci. 2023. PMID: 36968524 Free PMC article.

4

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

5

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

6

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

7

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

8

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

9

Re-examining the properties of the aqueous vapor-liquid interface using dispersion corrected density functional theory.

Baer MD, Mundy CJ, McGrath MJ, Kuo IF, Siepmann JI, Tobias DJ. Baer MD, et al. Among authors: siepmann ji. J Chem Phys. 2011 Sep 28;135(12):124712. doi: 10.1063/1.3633239. J Chem Phys. 2011. PMID: 21974557

10

Hydrogen Sulfide Capture: From Absorption in Polar Liquids to Oxide, Zeolite, and Metal-Organic Framework Adsorbents and Membranes.

Shah MS, Tsapatsis M, Siepmann JI. Shah MS, et al. Among authors: siepmann ji. Chem Rev. 2017 Jul 26;117(14):9755-9803. doi: 10.1021/acs.chemrev.7b00095. Epub 2017 Jul 5. Chem Rev. 2017. PMID: 28678483

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