Choi TH - Search Results

1

Vibrational Signatures of HNO₃ Acidity When Complexed with Microhydrated Alkali Metal Ions, M⁺·(HNO₃)(H₂O)_n=5 (M = Li, K, Na, Rb, Cs), at 20 K.

Mitra S, Khuu T, Choi TH, Huchmala RM, Jordan KD, McCoy AB, Johnson MA. Mitra S, et al. Among authors: choi th. J Phys Chem A. 2022 Mar 17;126(10):1640-1647. doi: 10.1021/acs.jpca.1c10352. Epub 2022 Mar 5. J Phys Chem A. 2022. PMID: 35249322

2

Single conformation spectroscopy of a flexible bichromophore: 3-(4-hydroxyphenyl)-N-benzylpropionamide.

Baquero EE, James WH 3rd, Choi TH, Jordan KD, Zwier TS. Baquero EE, et al. Among authors: choi th. J Phys Chem A. 2008 Nov 6;112(44):11115-23. doi: 10.1021/jp806787p. Epub 2008 Oct 14. J Phys Chem A. 2008. PMID: 18850691

3

Application of the SCC-DFTB method to H+(H2O)6, H+(H2O)21, and H+(H2O)22.

Choi TH, Jordan KD. Choi TH, et al. J Phys Chem B. 2010 May 27;114(20):6932-6. doi: 10.1021/jp912289e. J Phys Chem B. 2010. PMID: 20433189

4

Discrete Variable Representation Implementation of the One-Electron Polarization Model.

Choi TH, Sommerfeld T, Yilmaz SL, Jordan KD. Choi TH, et al. J Chem Theory Comput. 2010 Aug 10;6(8):2388-94. doi: 10.1021/ct100263r. J Chem Theory Comput. 2010. PMID: 26613494 No abstract available.

5

Implementation of analytical gradients and of a mixed real and momentum space DVR method for excess electron systems described by a self-consistent polarization model.

Choi TH, Vazhappilly T, Jordan KD. Choi TH, et al. J Chem Phys. 2017 Oct 28;147(16):161717. doi: 10.1063/1.4990396. J Chem Phys. 2017. PMID: 29096454

6

Model potential study of non-valence correlation-bound anions of (C₆₀)_n clusters: the role of electric field-induced charge transfer.

Choi TH, Jordan KD. Choi TH, et al. Faraday Discuss. 2019 Jul 18;217(0):547-560. doi: 10.1039/c8fd00199e. Faraday Discuss. 2019. PMID: 30994120

7

Molecular-level origin of the carboxylate head group response to divalent metal ion complexation at the air-water interface.

Denton JK, Kelleher PJ, Johnson MA, Baer MD, Kathmann SM, Mundy CJ, Wellen Rudd BA, Allen HC, Choi TH, Jordan KD. Denton JK, et al. Among authors: choi th. Proc Natl Acad Sci U S A. 2019 Jul 23;116(30):14874-14880. doi: 10.1073/pnas.1818600116. Epub 2019 Jul 5. Proc Natl Acad Sci U S A. 2019. PMID: 31278149 Free PMC article.

8

Mapping the temperature-dependent and network site-specific onset of spectral diffusion at the surface of a water cluster cage.

Yang N, Edington SC, Choi TH, Henderson EV, Heindel JP, Xantheas SS, Jordan KD, Johnson MA. Yang N, et al. Among authors: choi th. Proc Natl Acad Sci U S A. 2020 Oct 20;117(42):26047-26052. doi: 10.1073/pnas.2017150117. Epub 2020 Oct 6. Proc Natl Acad Sci U S A. 2020. PMID: 33024015 Free PMC article.

9

Water Network Shape-Dependence of Local Interactions with the Microhydrated -NO₂^- and -CO₂^- Anionic Head Groups by Cold Ion Vibrational Spectroscopy.

Mitra S, Denton JK, Kelleher PJ, Johnson MA, Guasco TL, Choi TH, Jordan KD. Mitra S, et al. Among authors: choi th. J Phys Chem A. 2022 Apr 28;126(16):2471-2479. doi: 10.1021/acs.jpca.2c00721. Epub 2022 Apr 13. J Phys Chem A. 2022. PMID: 35418229

10

Isotope Effects in the Zundel-Eigen Isomerization of H⁺(H₂O)₆.

Finney JM, Choi TH, Huchmala RM, Heindel JP, Xantheas SS, Jordan KD, McCoy AB. Finney JM, et al. Among authors: choi th. J Phys Chem Lett. 2023 May 25;14(20):4666-4672. doi: 10.1021/acs.jpclett.3c00952. Epub 2023 May 11. J Phys Chem Lett. 2023. PMID: 37167485

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