Kuroda DG - Search Results

1

pK_a Matching Enables Quantum Proton Delocalization in Acid-1-Methylimidazole Binary Mixtures.

Zhang R, Ye D, Gurung A, Warmuth R, Kuroda DG, Wang L. Zhang R, et al. Among authors: kuroda dg. J Chem Inf Model. 2025 Jan 27;65(2):798-810. doi: 10.1021/acs.jcim.4c02187. Epub 2025 Jan 7. J Chem Inf Model. 2025. PMID: 39772573

2

Quantum mechanical effects in acid-base chemistry.

Zhang X, Zhou S, Leonik FM, Wang L, Kuroda DG. Zhang X, et al. Among authors: kuroda dg. Chem Sci. 2022 May 19;13(23):6998-7006. doi: 10.1039/d2sc01784a. eCollection 2022 Jun 15. Chem Sci. 2022. PMID: 35774178 Free PMC article.

3

Relation between microscopic structure and macroscopic properties in polyacrylonitrile-based lithium-ion polymer gel electrolytes.

Rushing JC, Gurung A, Kuroda DG. Rushing JC, et al. Among authors: kuroda dg. J Chem Phys. 2023 Apr 14;158(14):144705. doi: 10.1063/5.0135631. J Chem Phys. 2023. PMID: 37061496

4

A new method based on pseudo-Zernike polynomials to analyze and extract dynamical and spectral information from the 2DIR spectra.

Gurung A, Kuroda DG. Gurung A, et al. Among authors: kuroda dg. J Chem Phys. 2023 Jul 21;159(3):034201. doi: 10.1063/5.0154601. J Chem Phys. 2023. PMID: 37458347

5

Molecular motions of acetonitrile molecules in the solvation shell of lithium ions.

Chen X, Kuroda DG. Chen X, et al. Among authors: kuroda dg. J Chem Phys. 2020 Oct 28;153(16):164502. doi: 10.1063/5.0024486. J Chem Phys. 2020. PMID: 33138407

6

Elucidating the mechanism behind the infrared spectral features and dynamics observed in the carbonyl stretch region of organic carbonates interacting with lithium ions.

Fulfer KD, Galle Kankanamge SR, Chen X, Woodard KT, Kuroda DG. Fulfer KD, et al. Among authors: kuroda dg. J Chem Phys. 2021 Jun 21;154(23):234504. doi: 10.1063/5.0049742. J Chem Phys. 2021. PMID: 34241245

7

Lithium ion Speciation in Cyclic Solvents: Impact of Anion Charge Delocalization and Solvent Polarizability.

Nachaki EO, Kuroda DG. Nachaki EO, et al. Among authors: kuroda dg. J Phys Chem B. 2024 Apr 11;128(14):3408-3415. doi: 10.1021/acs.jpcb.3c06872. Epub 2024 Mar 28. J Phys Chem B. 2024. PMID: 38546442 Free PMC article.

8

Uncovering the binding nature of thiocyanate in contact ion pairs with lithium ions.

Deshmukh SH, Nachaki EO, Kuroda DG. Deshmukh SH, et al. Among authors: kuroda dg. J Chem Phys. 2024 Jul 21;161(3):034507. doi: 10.1063/5.0216491. J Chem Phys. 2024. PMID: 39017430

9

A transferable classical force field to describe glyme based lithium solvate ionic liquids.

Carrillo-Bohórquez O, Kuroda DG, Kumar R. Carrillo-Bohórquez O, et al. Among authors: kuroda dg. J Chem Phys. 2024 Aug 7;161(5):054504. doi: 10.1063/5.0214769. J Chem Phys. 2024. PMID: 39092940

10

An ab initio molecular dynamics study of the solvation structure and ultrafast dynamics of lithium salts in organic carbonates: A comparison between linear and cyclic carbonates.

Zhang X, Kuroda DG. Zhang X, et al. Among authors: kuroda dg. J Chem Phys. 2019 May 14;150(18):184501. doi: 10.1063/1.5088820. J Chem Phys. 2019. PMID: 31091901

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