Statistical Analysis of Tri-Cresyl Phosphate Conversion on an Iron Oxide Surface Using Reactive Molecular Dynamics Simulations von Khajeh, Arash, Hu, Xiaoli, Mohammadtabar, Karen, Shin, Yun Kyung, van Duin, Adri C. T, Berkebile, Stephen, Martini, Ashlie

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Reactive Molecular Dynamics Simulations of Thermal Film Growth from Di-tert-butyl Disulfide on an Fe(100) surface von Mohammadtabar, Karen, Eder, Stefan J, Bedolla, Pedro O, Dörr, Nicole, Martini, Ashlie

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Shear-driven reactions of organosulfur compounds on ferrous surfaces: A molecular dynamics study von Mohammadtabar, Karen, Eder, Stefan J., Dörr, Nicole, Martini, Ashlie

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Heat‑, Load‑, and Shear-Driven Reactions of Di-tert-butyl Disulfide on Fe(100) von Mohammadtabar, Karen, Eder, Stefan J, Dörr, Nicole, Martini, Ashlie

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Development and Application of a ReaxFF Reactive Force Field for Ni-Doped MoS 2 von Mohammadtabar, Karen, Guerrero, Enrique, Romero Garcia, Sergio, Shin, Yun Kyung, van Duin, Adri C. T., Strubbe, David A., Martini, Ashlie

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Development and Application of a ReaxFF Reactive Force Field for Ni-Doped MoS2 von Mohammadtabar, Karen, Guerrero, Enrique, Romero Garcia, Sergio, Shin, Yun Kyung, van Duin, Adri C. T., Strubbe, David A., Martini, Ashlie

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Development and Application of a ReaxFF Reactive Force Field for Ni-Doped MoS$_2 von Mohammadtabar, Karen, Guerrero, Enrique, Garcia, Sergio Romero, Shin, Yun Kyung, van Duin, Adri C. T, Strubbe, David A, Martini, Ashlie

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Development and Application of a ReaxFF Reactive Force Field for Ni-Doped MoS\(_2\) von Mohammadtabar, Karen, Guerrero, Enrique, Sergio Romero Garcia, Shin, Yun Kyung, Adri C T van Duin, Strubbe, David A, Martini, Ashlie

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