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Items where Person is "Jung-Yousung"

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Number of items: 15.

2019

Noh, Juhwan and Kim, Sungwon and Gu, Geun ho et al. (2019) Unveiling new stable manganese based photoanode materials via theoretical high-throughput screening and experiments. Chemical Communications, 55 (89). pp. 13418-13421. ISSN 1359-7345. https://resolver.caltech.edu/CaltechAUTHORS:20191023-085621884

Noh, Juhwan and Kim, Jaehoon and Stein, Helge S. et al. (2019) Inverse Design of Solid-State Materials via a Continuous Representation. Matter, 1 (5). pp. 1370-1384. ISSN 2590-2385. https://resolver.caltech.edu/CaltechAUTHORS:20191002-094950933

2018

Kim, In and Pascal, Tod A. and Park, Seong-Jik et al. (2018) pH-Dependent Conformations for Hyperbranched Poly(ethylenimine) from All-Atom Molecular Dynamics. Macromolecules, 51 (6). pp. 2187-2194. ISSN 0024-9297. https://resolver.caltech.edu/CaltechAUTHORS:20180418-103623373

2017

Kwac, Kijeong and Kim, In and Pascal, Tod A. et al. (2017) Multilayer Two-Dimensional Water Structure Confined in MoS_2. Journal of Physical Chemistry C, 121 (29). pp. 16021-16028. ISSN 1932-7447. https://resolver.caltech.edu/CaltechAUTHORS:20170706-103012655

2015

Shao, Yihan and Gan, Zhengting and Epifanovsky, Evgeny et al. (2015) Advances in molecular quantum chemistry contained in the Q-Chem 4 program package. Molecular Physics, 113 (2). pp. 184-215. ISSN 0026-8976. https://resolver.caltech.edu/CaltechAUTHORS:20170106-112949955

2014

Lim, Soo Yeon and Kim, Heejin and Chung, Jaehoon et al. (2014) Role of intermediate phase for stable cycling of Na_7V_4(P_2O_7)_4PO_4 in sodium ion battery. Proceedings of the National Academy of Sciences of the United States of America, 111 (2). pp. 599-604. ISSN 0027-8424. PMCID PMC3896142. https://resolver.caltech.edu/CaltechAUTHORS:20140214-094035679

2013

Ji, Hyunjun and Shao, Yihan and Goddard, William A. et al. (2013) Analytic Derivatives of Quartic-Scaling Doubly Hybrid XYGJ-OS Functional: Theory, Implementation, and Benchmark Comparison with M06-2X and MP2 Geometries for Nonbonded Complexes. Journal of Chemical Theory and Computation, 9 (4). pp. 1971-1976. ISSN 1549-9618. PMCID PMC3650862. https://resolver.caltech.edu/CaltechAUTHORS:20130610-114028985

2012

Pascal, Tod A. and Schärf, Daniel and Jung, Yousung et al. (2012) On the absolute thermodynamics of water from computer simulations: A comparison of first-principles molecular dynamics, reactive and empirical force fields. Journal of Chemical Physics, 137 (24). Art. No. 244507 . ISSN 0021-9606. https://resolver.caltech.edu/CaltechAUTHORS:20130131-095211301

Pascal, Tod A. and Lin, Shiang-Tai and Goddard, William A., III et al. (2012) Stability of Positively Charged Solutes in Water: A Transition from Hydrophobic to Hydrophilic. Journal of Physical Chemistry Letters, 3 (3). pp. 294-298. ISSN 1948-7185. https://resolver.caltech.edu/CaltechAUTHORS:20120302-121800764

2011

Zhang, Igor Ying and Xu, Xin and Jung, Yousung et al. (2011) A fast doubly hybrid density functional method close to chemical accuracy using a local opposite spin ansatz. Proceedings of the National Academy of Sciences of the United States of America, 108 (50). pp. 19896-19900. ISSN 0027-8424. PMCID PMC3250148. https://resolver.caltech.edu/CaltechAUTHORS:20120105-121854116

Pascal, Tod A. and Goddard, William A., III and Jung, Yousung (2011) Entropy and the driving force for the filling of carbon nanotubes with water. Proceedings of the National Academy of Sciences of the United States of America, 108 (29). pp. 11794-11798. ISSN 0027-8424. PMCID PMC3141970. https://resolver.caltech.edu/CaltechAUTHORS:20110803-120608933

Wang, Yanting and Hodas, Nathan O. and Jung, Yousung et al. (2011) Microscopic structure and dynamics of air/water interface by computer simulations-comparison with sum-frequency generation experiments. Physical Chemistry Chemical Physics, 13 (12). pp. 5388-5393. ISSN 1463-9076. https://resolver.caltech.edu/CaltechAUTHORS:20110330-082835207

2010

Jung, Yousung and Marcus, R. A. (2010) Protruding interfacial OH groups and 'on-water' heterogeneous catalysis. Journal of Physics: Condensed Matter, 22 (28). Art. No. 284117 . ISSN 0953-8984. https://resolver.caltech.edu/CaltechAUTHORS:20100720-084322628

2008

Kurlancheek, Westin and Jung, Yousung and Head-Gordon, Martin (2008) Effects of ligands and spin-polarization on the preferred conformation of distannynes. Dalton Transactions, 2008 (33). pp. 4428-4435. ISSN 1477-9226. https://resolver.caltech.edu/CaltechAUTHORS:KURdt08

2007

Jung, Yousung and Marcus, R. A. (2007) On the theory of organic catalysis "on water". Journal of the American Chemical Society, 129 (17). pp. 5492-5502. ISSN 0002-7863. https://resolver.caltech.edu/CaltechAUTHORS:20150317-095444811

This list was generated on Fri Aug 7 04:48:24 2020 PDT.