Goddard WA 3rd - Search Results

1

A General Nonbonded Force Field Based on Accurate Quantum Mechanics Calculations for Elements H-La and Hf-Rn.

Luo W, Goddard WA 3rd. Luo W, et al. Among authors: goddard wa 3rd. J Chem Theory Comput. 2024 Dec 24. doi: 10.1021/acs.jctc.4c01435. Online ahead of print. J Chem Theory Comput. 2024. PMID: 39719104

2

Subtle Modifications in Interface Configurations of Iron/Cobalt Phthalocyanine-Based Electrocatalysts Determine Molecular CO₂ Reduction Activities.

Xin Y, Musgrave CB 3rd, Su J, Li J, Xiong P, Meng-Jung Li M, Song Y, Gu Q, Zhang Q, Liu Y, Guo W, Cheng L, Tan X, Jiang Q, Xia C, Zhong Tang B, Goddard WA 3rd, Ye R. Xin Y, et al. Among authors: goddard wa 3rd. Angew Chem Int Ed Engl. 2024 Nov 25:e202420286. doi: 10.1002/anie.202420286. Online ahead of print. Angew Chem Int Ed Engl. 2024. PMID: 39585505

3

Parameterization and quantification of two key operando physio-chemical descriptors for water-assisted electro-catalytic organic oxidation.

Tian B, Wang F, Ran P, Dai L, Lv Y, Sun Y, Mu Z, Sun Y, Tang L, Goddard WA 3rd, Ding M. Tian B, et al. Among authors: goddard wa 3rd. Nat Commun. 2024 Nov 22;15(1):10145. doi: 10.1038/s41467-024-54318-7. Nat Commun. 2024. PMID: 39578431 Free PMC article.

4

Agonist activation to open the Gα subunit of the GPCR-G protein precoupled complex defines functional agonist activation of TAS2R5.

Young Yang M, Duy Mac K, Strzelinski HR, Hoffman SA, Kim D, Kim SK, Su J, Liggett SB, Goddard WA 3rd. Young Yang M, et al. Among authors: goddard wa 3rd. Proc Natl Acad Sci U S A. 2024 Nov 26;121(48):e2409987121. doi: 10.1073/pnas.2409987121. Epub 2024 Nov 20. Proc Natl Acad Sci U S A. 2024. PMID: 39565310

5

Methanol Formation in Hyperthermal Oxygen Collisions with Methane Clathrate Ice.

Grayson RW, Giapis KP, Goddard WA 3rd. Grayson RW, et al. Among authors: goddard wa 3rd. J Phys Chem A. 2024 Nov 28;128(47):10250-10258. doi: 10.1021/acs.jpca.4c06078. Epub 2024 Nov 18. J Phys Chem A. 2024. PMID: 39556664 Free PMC article.

6

Ruthenium-Substituted Polyoxoanion Serves as Redox Shuttle and Intermediate Stabilizer in Selective Electrooxidation of Ethylene to Ethylene Glycol.

Yu J, Musgrave CB 3rd, Chen Q, Yang Y, Tian C, Hu X, Su G, Shin H, Ni W, Chen X, Ou P, Liu Y, Schweitzer NM, Meira DM, Dravid VP, Goddard WA 3rd, Xie K, Sargent EH. Yu J, et al. Among authors: goddard wa 3rd. J Am Chem Soc. 2024 Nov 27;146(47):32660-32669. doi: 10.1021/jacs.4c11891. Epub 2024 Nov 13. J Am Chem Soc. 2024. PMID: 39537145

7

Bystander base editing interferes with visual function restoration in Leber congenital amaurosis.

Lee SH, Wu J, Im D, Hwang GH, Jeong YK, Jiang H, Lee SJ, Jo DH, Goddard WA 3rd, Kim JH, Bae S. Lee SH, et al. Among authors: goddard wa 3rd. bioRxiv [Preprint]. 2024 Oct 25:2024.10.23.619839. doi: 10.1101/2024.10.23.619839. bioRxiv. 2024. PMID: 39484395 Free PMC article. Preprint.

8

The Reaction Mechanism and Rates at Ru Single-Atom Catalysts for Hydrogenation of Biomass BHMF to Produce BHMTHF for Renewable Polymers.

Huai L, Zhang J, Goddard WA 3rd. Huai L, et al. Among authors: goddard wa 3rd. J Am Chem Soc. 2024 Nov 13;146(45):31251-31263. doi: 10.1021/jacs.4c11551. Epub 2024 Nov 1. J Am Chem Soc. 2024. PMID: 39485320

9

Steviol rebaudiosides bind to four different sites of the human sweet taste receptor (T1R2/T1R3) complex explaining confusing experiments.

Hao S, Guthrie B, Kim SK, Balanda S, Kubicek J, Murtaza B, Khan NA, Khakbaz P, Su J, Goddard WA 3rd. Hao S, et al. Among authors: goddard wa 3rd. Commun Chem. 2024 Oct 18;7(1):236. doi: 10.1038/s42004-024-01324-x. Commun Chem. 2024. PMID: 39424933 Free PMC article.

10

Optimizing QLED Performance and Stability via the Surface Modification of PEDOT:PSS Experimental Insights and DFT Calculations.

Ali A, Rehman F, Das T, Hussain I, Lee K, Jiang W, Oh S, Park J, Goddard WA 3rd, Oh SJ, Chae H. Ali A, et al. Among authors: goddard wa 3rd. ACS Appl Mater Interfaces. 2024 Oct 23;16(42):57437-57445. doi: 10.1021/acsami.4c14036. Epub 2024 Oct 10. ACS Appl Mater Interfaces. 2024. PMID: 39390749

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