Tae H. Choi, Ph.D. - Publications

Affiliations: 
University of Pittsburgh, Pittsburgh, PA, United States 
Area:
Theoretical Chemistry

14 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Finney JM, Choi TH, Huchmala RM, Heindel JP, Xantheas SS, Jordan KD, McCoy AB. Isotope Effects in the Zundel-Eigen Isomerization of H(HO). The Journal of Physical Chemistry Letters. 4666-4672. PMID 37167485 DOI: 10.1021/acs.jpclett.3c00952  0.456
2022 Mitra S, Denton JK, Kelleher PJ, Johnson MA, Guasco TL, Choi TH, Jordan KD. Water Network Shape-Dependence of Local Interactions with the Microhydrated -NO and -CO Anionic Head Groups by Cold Ion Vibrational Spectroscopy. The Journal of Physical Chemistry. A. PMID 35418229 DOI: 10.1021/acs.jpca.2c00721  0.478
2022 Mitra S, Khuu T, Choi TH, Huchmala RM, Jordan KD, McCoy AB, Johnson MA. Vibrational Signatures of HNO Acidity When Complexed with Microhydrated Alkali Metal Ions, M·(HNO)(HO) (M = Li, K, Na, Rb, Cs), at 20 K. The Journal of Physical Chemistry. A. 126: 1640-1647. PMID 35249322 DOI: 10.1021/acs.jpca.1c10352  0.439
2020 Yang N, Edington SC, Choi TH, Henderson EV, Heindel JP, Xantheas SS, Jordan KD, Johnson MA. Mapping the temperature-dependent and network site-specific onset of spectral diffusion at the surface of a water cluster cage. Proceedings of the National Academy of Sciences of the United States of America. PMID 33024015 DOI: 10.1073/pnas.2017150117  0.45
2019 Denton JK, Kelleher PJ, Johnson MA, Baer MD, Kathmann SM, Mundy CJ, Wellen Rudd BA, Allen HC, Choi TH, Jordan KD. Molecular-level origin of the carboxylate head group response to divalent metal ion complexation at the air-water interface. Proceedings of the National Academy of Sciences of the United States of America. PMID 31278149 DOI: 10.1073/Pnas.1818600116  0.495
2019 Choi TH, Jordan KD. Model potential study of non-valence correlation-bound anions of (C) clusters: the role of electric field-induced charge transfer. Faraday Discussions. PMID 30994120 DOI: 10.1039/C8Fd00199E  0.485
2017 Choi TH, Vazhappilly T, Jordan KD. 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. The Journal of Chemical Physics. 147: 161717. PMID 29096454 DOI: 10.1063/1.4990396  0.491
2010 Choi TH, Sommerfeld T, Yilmaz SL, Jordan KD. Discrete Variable Representation Implementation of the One-Electron Polarization Model. Journal of Chemical Theory and Computation. 6: 2388-94. PMID 26613494 DOI: 10.1021/ct100263r  0.408
2010 Choi TH, Jordan KD. Application of the SCC-DFTB method to H+(H2O)6, H+(H2O)21, and H+(H2O)22. The Journal of Physical Chemistry. B. 114: 6932-6. PMID 20433189 DOI: 10.1021/Jp912289E  0.499
2010 Choi TH, Sommerfeld T, Yilmaz SL, Jordan KD. Discrete variable representation implementation of the one-electron polarization model Journal of Chemical Theory and Computation. 6: 2388-2394. DOI: 10.1021/ct100263r  0.408
2009 Choi TH, Jordan KD. Potential energy landscape of the (H2O)6- cluster Chemical Physics Letters. 475: 293-297. DOI: 10.1016/j.cplett.2009.05.059  0.44
2009 Choi TH, Jordan KD. Potential energy landscape of the (H2 O)6 - cluster Chemical Physics Letters. 475: 293-297. DOI: 10.1016/J.Cplett.2009.05.059  0.513
2008 Baquero EE, James WH, Choi TH, Jordan KD, Zwier TS. Single conformation spectroscopy of a flexible bichromophore: 3-(4-hydroxyphenyl)-N-benzylpropionamide. The Journal of Physical Chemistry. A. 112: 11115-23. PMID 18850691 DOI: 10.1021/Jp806787P  0.443
2008 Choi TH, Jordan KD. Analytical gradient for geometry optimizations of (H2 O)n - clusters as described by the PM1 polarizable model Chemical Physics Letters. 464: 139-143. DOI: 10.1016/J.Cplett.2008.09.002  0.521
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