Publications
Peer Reviewed
2023
50 - Sepulveda-Montaño L, Galindo J, Kuroda DG. "Infrared Spectroscopy of Liquid Solutions as a Benchmarking Tool of Semiempirical QM Methods: The Case of GFN2-xTB." The Journal of Physical Chemistry B, 2023, 127, 7955-7963
49 - Gurung A, Kuroda DG. "A new method based on pseudo-Zernike polynomials to analyze and extract dynamical and spectral information from the 2DIR spectra." The Journal of Chemical Physics, 2023, 159, 034201.
48 - Rushing JC, Gurung A, Kuroda DG. "Relation between microscopic structure and macroscopic properties in polyacrylonitrile-based lithium-ion polymer gel electrolytes." The Journal of Chemical Physics, 2023, 158, 144705.
47 - Chen X, Kuroda DG. "Ionic conduction mechanism in high concentration lithium ion electrolytes." Chemical Communications, 2023, 59, 1849-1852.
2022
46 - Nachaki EO, Leonik FM, Kuroda DG. "Effect of the N-Alkyl Side Chain on the Amide–Water Interactions." The Journal of Physical Chemistry B, 2022, 126, 8290-8299.
45 - Zhang X, Zhou S, Leonik FM, Wang L, Kuroda DG. "Quantum mechanical effects in acid–base chemistry." Chemical science, 2022, 13, 6998-7006.
44 - Pestana-Nobles R, Aranguren-Díaz Y, Machado-Sierra E, Yosa J, Galan-Freyle NJ, Sepulveda-Montaño LX, Kuroda DG, Pacheco-Londoño LC. "Docking and Molecular Dynamic of Microalgae Compounds as Potential Inhibitors of Beta-Lactamase." International Journal of Molecular Sciences, 2022, 23, 3, 1630.
43 - Rushing JC, Stern CM, Elgrishi N, Kuroda DG. "Tale of a “Non-interacting” Additive in a Lithium-Ion Electrolyte: Effect on Ionic Speciation and Electrochemical Properties." The Journal of Physical Chemistry C, 2022, 126, 2141-2150.
2021
42 - Cui Y, Rushing JC, Seifert S, Bedford NM, Kuroda DG, "Structural and dynamical changes observed when transitioning from an ionic liquid to a deep eutectic solvent." The Journal of Chemical Physics, 2021 , 155, 5, 054507.
41 - Fulfer KD, Galle Kankanamge SR, Chen X, Woodard KT, Kuroda DG. "Elucidating the mechanism behind the infrared spectral features and dynamics observed in the carbonyl stretch region of organic carbonates interacting with lithium ions." The Journal of Chemical Physics, 2021, 154, 23, 234504.
40 - Zhang X, Chen X, Kuroda DG, "Computing the frequency fluctuation dynamics of highly coupled vibrational transitions using neural networks", The Journal of Chemical Physics, 2021 , 154, 16, 164514.
2020
39 - Gobeze HB, Ma J, Leonik FM and Kuroda DG, "Bottom-Up Approach to Assess the Molecular Structure of Aqueous Poly (N-Isopropylacrylamide) at Room Temperature via Infrared Spectroscopy", The Journal of Physical Chemistry B, 2020, 51, 11699–11710
38 - Chen X and Kuroda DG, "Molecular motions of acetonitrile molecules in the solvation shell of lithium ions" The Journal of Chemical Physics 2020, 16, 164502.
37 - Galle Kankanamge SR, Ma J, Mackin RT, Leonik FM, Taylor CM, Rubtsov IV, Kuroda DG, "Proving and Probing the Presence of the Elusive CH∙∙∙O Hydrogen Bond in Liquid Solutions at Room Temperature", Angewandte Chemie (International ed. in English), 2020, 59, 17012-17017.
36 - Chen X, Cui Y, Gobeze HB, Kuroda DG, "Assessing the Location of Ionic and Molecular Solutes in a Molecularly Heterogeneous and Nonionic Deep Eutectic Solvent", The Journal of Physical Chemistry B, 2020, 124, 4762–4773.
35 - Galle Kankanamge SR, Kuroda DG, "Molecular Structure, Chemical Exchange, and Conductivity Mechanism of High Concentration LiTFSI Electrolytes" The Journal of Physical Chemistry B, 124 , 1965-1977.
2019
34 - Chen X, Fulfer KD, Woodard KT, Kuroda DG, “Structure and Dynamics of the Lithium Ion Solvation Shell in Ureas“, Journal of Physical Chemistry B. 2019, 123, 9889-9898.
33 - Rushing JC, Leonik FM, and Kuroda DG, “Effect of Solvation Shell Structure and Composition on Ion Pair Formation: The Case Study of LiTDI in Organic Carbonates“, Journal of Physical Chemistry C, 2019, 123, 25102-25112.
32 - Cui Y, Rushing JC, Seifert S, Bedford NM, and Kuroda DG, "Molecularly Heterogeneous Structure of a Nonionic Deep Eutectic Solvent Composed of N-Methylacetamide and Lauric Acid", Journal of Physical Chemistry B 2019, 123, 3984-3993.
31 - Zhang X, Kuroda DG, "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", Journal of Chemical Physics, 2019, 150, 184501.
30 - Galle Kankanamge SR, Kuroda DG "Molecular structure and ultrafast dynamics of sodium thiocyanate ion pairs formed in glymes of different lengths", Physical Chemistry Chemical Physics, 2019, 21, 833-841.
2018
29 - Galle Kankanamge SR, Li K, Fulfer KD, Du P, Jorn R, Kumar R, Kuroda DG "Mechanism behind the Unusually High Conductivities of High Concentrated Sodium Ion Glyme-Based Electrolytes", Journal of Physical Chemistry C, 2018, 122, 25237-25246.
28 - Fulfer KD, Kuroda DG, "Ion Speciation of Lithium Hexafluorophosphate in Dimethyl Carbonate Solutions: An Infrared Spectroscopy Study", Physical Chemistry Chemical Physics, 2018,20, 22710-22718
27 - Zhang X, Kumar R, Kuroda DG, "Acetate ion and its interesting solvation shell structure and dynamics", Journal of Chemical Physics, 2018, 148, 094506.
26 - Cui Y and Kuroda DG, "Evidence of Molecular Heterogeneities in Amide Based Deep Eutectic Solvents", Journal of Physical Chemistry A, 2018, 122, 1185-1193.
25 - Li K, Galle Kankanamge SR, Weldeghiorghis TK, Jorn R, Kuroda DG, and Kumar R, "Predicting Ion Association in Sodium Electrolytes: A Transferrable Model for Investigating Glymes", Journal of Physical Chemistry C, 2018, 122, 4747–4756.
2017
24 - Cui Y, Li MC, Wu Q, Pojman JA, Kuroda DG, "Synthesis-Free Phase-Selective Gelator for Oil-Spill Remediation", ACS Applied Materials & Interfaces, 2017, 9 , 33549–33553.
23 - Fulfer KD, Kuroda DG, "A comparison of the solvation structure and dynamics of the lithium ion in linear organic carbonates with different alkyl chain lengths", Physical Chemistry Chemical Physics, 2017, 19, 25140-25150.
22 - Devereux CJ, Fulfer KD, Zhang X, Kuroda DG, "Vibrational spectroscopy modeling of a drug in molecular solvents and enzymes", Chemical Physics, 2017, 495, 1-9.
21 - Ma J, Xuan S, Guerin AA, Yu T, Zhang D, Kuroda DG, "Unusual molecular mechanism behind the thermal response of polypeptoids in aqueous solutions", Physical Chemistry Chemical Physics, 2017, 19, 10878-10888.
2016
20 - Cui Y, Fulfer KD, Ma J, Weldeghiorghis TK, Kuroda DG, "Solvation Dynamics of an Ionic Probed in Choline Chloride-based Deep Eutectic Solvents", Physical Chemistry Chemical Physics, 2016, 18, 31471-31479.
19 - Fulfer KD, Kuroda DG, "Solvation Structure and Dynamics of the Lithium Ion in Organic Carbonate-Based Electrolytes: A Time-Dependent Infrared Spectroscopy Study",Journal of Physical Chemistry C, 2016, 120, 24011-24022.
18 - Wahlers J, Fulfer KD, Harding DP, Kuroda DG, Kumar R, Jorn R, "Solvation Structure and Concentration in Glyme-Based Sodium Electrolytes: A Combined Spectroscopic and Computational Study", Journal of Physical Chemistry C, 2016, 120, 17949-17959.
17 - Guerin AC, Riley K, Rupnik K, Kuroda DG, "Determining the Energetics of the Hydrogen Bond through FTIR: A Hands-On Physical Chemistry Lab Experiment", Journal of Chemical Education, Journal of Chemical Education, 2016, 93, 1124-1129.
2015
16 - Galindo JF, Atas E, Altan A, Kuroda DG, Fernandez-Alberti S, Tretiak S, Roitberg AE, Kleiman VD, "Dynamics of Energy Transfer in a Conjugated Dendrimer Driven by Ultrafast Localization of Excitations", Journal of the American Chemical Society, 2015, 137, 11637–11644.
15 - Li T, Cui Y, Mathaga J, Kumar R, Kuroda DG, "Hydration and vibrational dynamics of betaine (N,N,N-trimethylglycine)", Journal of Chemical Physics, 2015, 142, 212438.
2014
14 - Chuntonov L, Kumar R, Kuroda DG, "Non-linear infrared spectroscopy of the water bending mode: direct experimental evidence of hydration shell reorganization?", Physical Chemistry Chemical Physics, 2014, 16, 13172.
2013
13 - Kuroda DG, Abdo M, Chuntonov L, Smith AB, III, Hochstrasser RM, "Vibrational dynamics of a non-degenerate ultrafast rotor: the (C12,C13)-oxalate ion", Journal of Chemical Physics, 2013, 139, 164514.
12 - Singh PK, Kuroda DG, Hochstrasser RM, "An Ion's Perspective on the Molecular Motions of Nanoconfined Water: A Two-Dimensional Infrared Spectroscopy Study", Journal of Physical Chemistry B, 2013, 117, 9775–9784.
11 - Chuntonov L, Kuroda DG, Ghosh A, Ma J, Hochstrasser RM, "Quantum beats and coherence decay in degenerate states split by solvation", Journal of Physical Chemistry Letters, 2013, 4 , 1866–1871.
10 - Kuroda DG, Bauman JD, Challa JR, Patel D, Troxler T, Das K, Arnold E, Hochstrasser RM, "Snapshot of the equilibrium dynamics of a drug bound to HIV-1 reverse transcriptase", Nature Chemistry, 2013, 5, 174–181. Front Cover Article.
9 - Kuroda DG, Singh PK, Hochstrasser RM, "Differential Hydration of Tricyanomethanide Observed by Time Resolved Vibrational Spectroscopy", Journal of Physical Chemistry B, 2013, 117, 4354–4364.
2012
8 - Kuroda DG, Hochstrasser RM, "Dynamic structures of aqueous oxalate and the effects of counterions seen by 2D IR", Physical Chemistry Chemical Physics, 2012, 14, 6219-6224.
2011
7 - Kuroda DG, Hochstrasser RM, "2D IR spectral signature and hydration of the oxalate dianion", Journal of Chemical Physics, 2011, 135, 204502.
6 - Kuroda DG, Singh CP, Peng ZH, and Kleiman VD. "Exploring the role of phase modulation on photoluminescence yield". Faraday Discussions, 2011, 153, 61-72.
2010
5 - Vorobyev DY, Kuo CH, Kuroda DG, Scott JN, Vanderkooi JM, Hochstrasser RM. "Water-Induced Relaxation of a Degenerate Vibration of Guanidium Using 2D IR Echo Spectroscopy". Journal of Physical Chemistry B, 2010, 114, 8, 2944-2953.
4 - Kuroda, DG; Vorobyev, DY; Hochstrasser, RM. "Ultrafast relaxation and 2D IR of the aqueous trifluorocarboxylate ion". Journal of Chemical Physics, 2010, 132, 4, 044501. Front Cover Article.
2009
3 - Vorobyev DY, Kuo CH, Chen JX, Kuroda DG, Scott JN, Vanderkooi JM, Hochstrasser RM. "Ultrafast Vibrational Spectroscopy of a Degenerate Mode of Guanidinium Chloride". Journal of Physical Chemistry B, 2009, 113, 46, 15382-15391.
2 - Kuroda DG, Singh CP, Peng ZH, Kleiman VD. "Mapping Excited-State Dynamics by Coherent Control of a Dendrimer's Photoemission Efficiency". SCIENCE, 2009, 326, 5950, 263-267.
2007
1 - Kuroda DG, Kleiman VD "Quantum Control of Two-Photon Fluorescence in Solution". Eds.: R. J. D. Miller, A. M. Weiner, P. Corkum, D. M. Jonas, Springer Series in Chemical Physics, Vol 88 (Springer Berlin), 2007. ISBN: 978-3-540-68779-5.
Non-peer Reviewed
2017
3 - Fulfer KD, Kuroda DG, "Molecular Motions, Structure, and Composition of Carbonates in the Solvation Shell of the Lithium Ion, Via Infrared Spectroscopies", ECS Trans., 2017, 77, 1, 3-10.
2 - Woodard KT, Fulfer KD, Kuroda DG, "Exploring the Energetics of the Lithium Ion-Organic Carbonate Interaction: A FTIR and DFT Study", ECS Trans., 2017, 77, 1911-1917.
1 - Fulfer KD, Kuroda DG, "Characterizing the Effects of the Alkyl Chain Length of Linear Organic Carbonates on Lithium Ion Electrolyte Structure and Dynamics: A Solvent Perspective", ECS Trans., 2017, 77, 47-53.