Pascal TA - Search Results

1

Correction to "Goldilocks Energy Minimum: Peptide-Based Reversible Aggregation and Biosensing".

Yim W, Retout M, Chen AA, Ling C, Amer L, Jin Z, Chang YC, Chavez S, Barrios K, Lam B, Li Z, Zhou J, Shi L, Pascal TA, Jokerst JV. Yim W, et al. Among authors: pascal ta. ACS Appl Mater Interfaces. 2023 Oct 18;15(41):48838. doi: 10.1021/acsami.3c13967. Epub 2023 Oct 3. ACS Appl Mater Interfaces. 2023. PMID: 37787714 No abstract available.

2

Scaled effective solvent method for predicting the equilibrium ensemble of structures with analysis of thermodynamic properties of amorphous polyethylene glycol-water mixtures.

Shin H, Pascal TA, Goddard WA 3rd, Kim H. Shin H, et al. Among authors: pascal ta. J Phys Chem B. 2013 Jan 24;117(3):916-27. doi: 10.1021/jp310422q. Epub 2013 Jan 14. J Phys Chem B. 2013. PMID: 23256665 Free article.

3

X-ray Absorption Spectra of Dissolved Polysulfides in Lithium-Sulfur Batteries from First-Principles.

Pascal TA, Wujcik KH, Velasco-Velez J, Wu C, Teran AA, Kapilashrami M, Cabana J, Guo J, Salmeron M, Balsara N, Prendergast D. Pascal TA, et al. J Phys Chem Lett. 2014 May 1;5(9):1547-51. doi: 10.1021/jz500260s. Epub 2014 Apr 14. J Phys Chem Lett. 2014. PMID: 26270094 Free article.

4

Molecular understanding of polyelectrolyte binders that actively regulate ion transport in sulfur cathodes.

Li L, Pascal TA, Connell JG, Fan FY, Meckler SM, Ma L, Chiang YM, Prendergast D, Helms BA. Li L, et al. Among authors: pascal ta. Nat Commun. 2017 Dec 22;8(1):2277. doi: 10.1038/s41467-017-02410-6. Nat Commun. 2017. PMID: 29273748 Free PMC article.

5

Absolute Entropy and Energy of Carbon Dioxide Using the Two-Phase Thermodynamic Model.

Huang SN, Pascal TA, Goddard WA 3rd, Maiti PK, Lin ST. Huang SN, et al. Among authors: pascal ta. J Chem Theory Comput. 2011 Jun 14;7(6):1893-901. doi: 10.1021/ct200211b. Epub 2011 May 25. J Chem Theory Comput. 2011. PMID: 26596450

6

Quantum mechanics based force field for carbon (QMFF-Cx) validated to reproduce the mechanical and thermodynamics properties of graphite.

Pascal TA, Karasawa N, Goddard WA 3rd. Pascal TA, et al. J Chem Phys. 2010 Oct 7;133(13):134114. doi: 10.1063/1.3456543. J Chem Phys. 2010. PMID: 20942530

7

Soft X-Ray Second Harmonic Generation as an Interfacial Probe.

Lam RK, Raj SL, Pascal TA, Pemmaraju CD, Foglia L, Simoncig A, Fabris N, Miotti P, Hull CJ, Rizzuto AM, Smith JW, Mincigrucci R, Masciovecchio C, Gessini A, Allaria E, De Ninno G, Diviacco B, Roussel E, Spampinati S, Penco G, Di Mitri S, Trovò M, Danailov M, Christensen ST, Sokaras D, Weng TC, Coreno M, Poletto L, Drisdell WS, Prendergast D, Giannessi L, Principi E, Nordlund D, Saykally RJ, Schwartz CP. Lam RK, et al. Among authors: pascal ta. Phys Rev Lett. 2018 Jan 12;120(2):023901. doi: 10.1103/PhysRevLett.120.023901. Phys Rev Lett. 2018. PMID: 29376703 Free article.

8

Selective gas capture via kinetic trapping.

Kundu J, Pascal T, Prendergast D, Whitelam S. Kundu J, et al. Phys Chem Chem Phys. 2016 Aug 21;18(31):21760-6. doi: 10.1039/c6cp03940e. Epub 2016 Jul 20. Phys Chem Chem Phys. 2016. PMID: 27435033 Free article.

9

Adsorption Behavior of Organic Molecules: A Study of Benzotriazole on Cu(111) with Spectroscopic and Theoretical Methods.

Gattinoni C, Tsaousis P, Euaruksakul C, Price R, Duncan DA, Pascal T, Prendergast D, Held G, Michaelides A. Gattinoni C, et al. Langmuir. 2019 Jan 29;35(4):882-893. doi: 10.1021/acs.langmuir.8b03528. Epub 2019 Jan 18. Langmuir. 2019. PMID: 30607957

10

Active States During the Reduction of CO₂ by a MoS₂ Electrocatalyst.

Kumar K, Jamnuch S, Majidi L, Misal S, Ahmadiparidari A, Dato MA, Sterbinsky GE, Wu T, Salehi-Khojin A, Pascal TA, Cabana J. Kumar K, et al. Among authors: pascal ta. J Phys Chem Lett. 2023 Apr 6;14(13):3222-3229. doi: 10.1021/acs.jpclett.2c03942. Epub 2023 Mar 27. J Phys Chem Lett. 2023. PMID: 36972067 Free PMC article.

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