| 1 |
Development of the ReaxFF Methodology for Electrolyte-Water Systems
Fedkin MV, Shin YK, Dasgupta N, Yeon J, Zhang WW, van Duin D, van Duin ACT, Mori K, Fujiwara A, Machida M, Nakamura H, Okumura M
Journal of Physical Chemistry A, 123(10), 2125, 2019 |
| 2 |
Development of a ReaxFF Force Field for Cu/S/C/H and Reactive MD Simulations of Methyl Thiolate Decomposition on Cu (100)
Yeon J, Adams HL, Junkermeier CE, van Duin ACT, Tysoe WT, Martini A
Journal of Physical Chemistry B, 122(2), 888, 2018 |
| 3 |
Mechanochemical Association Reaction of Interfacial Molecules Driven by Shear
Khajeh A, He X, Yeon J, Kim SH, Martini S
Langmuir, 34(21), 5971, 2018 |
| 4 |
Crystal Growth and Structure Analysis of Ce-18-W-10-O-57: A Complex Oxide Containing Tungsten in an Unusual Trigonal Prismatic Coordination Environment
Abeysinghe D, Smith MD, Yeon J, Tran TT, Sena RP, Hadermann J, Halasyamani PS, zur Loye HC
Inorganic Chemistry, 56(5), 2566, 2017 |
| 5 |
New Lanthanide Mixed-Valent Vanadium(III/IV) Oxosilicates, Ln(4)V(5-x)Zn(x)Si(4)O(22) (Ln = La, Ce, Pr, and Nd), Crystallizing in a Quasi Two-Dimensional Rutile-Based Structure
Abeysinghe D, Smith MD, Yeon J, Morrison G, zur Loyeit HC
Inorganic Chemistry, 55(4), 1821, 2016 |
| 6 |
Compositional and Structural Versatility in an Unusual Family of anti-Perovskite Fluorides: [Cu(H2O)(4)](3)[(MF6)(M' F-6)]
Felder JB, Yeon J, Smith MD, zur Loye HC
Inorganic Chemistry, 55(14), 7167, 2016 |
| 7 |
Effects of Water on Tribochemical Wear of Silicon Oxide Interface: Molecular Dynamics (MD) Study with Reactive Force Field (ReaxFF)
Yeon J, van Duin ACT, Kim SH
Langmuir, 32(4), 1018, 2016 |
| 8 |
Photo luminescent and Magnetic Properties of Lanthanide Containing Apatites: Na(x)Ln(10-x)(SiO4)(6)O2-yFy, Ca(x)Ln(10-x)(SiO4)(6)O2-yFy (Ln = Eu, Gd, and Sm), Gd-9.34(SiO4)(6)O-2, and K1.32Pr8.68(SiO4)(6)O1.36F0.64
Latshaw AM, Hughey KD, Smith MD, Yeon J, zur Loye HC
Inorganic Chemistry, 54(3), 876, 2015 |
| 9 |
Trivalent Cation-Controlled Phase Space of New U(IV) Fluorides, Na3MU6F30 (M = Al3+, Ga3+, Ti3+, V3+, Cr3+ Fe3+): Mild Hydrothermal Synthesis Including an in Situ Reduction Step, Structures, Optical, and Magnetic Properties
Yeon J, Smith MD, Morrison G, Loye HCZ
Inorganic Chemistry, 54(4), 2058, 2015 |
| 10 |
Crystal Growth of Four Oxovanadium(IV) Tartrates Prepared via a Mild Two-Step Hydrothermal Method: Observation of Spin-Dimer Behavior and Second Harmonic Generation
Cortese AJ, Wilkins B, Smith MD, Yeon J, Morrison G, Tran TT, Halasyamani PS, zur Loye HC
Inorganic Chemistry, 54(8), 4011, 2015 |
