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Interfacial Reactivity and Speciation Emerging from Namontmorillonite Interactions with Water and Formic Acid at 200°C: Insights from Reactive Molecular Dynamics Simulations, Infrared Spectroscopy, and X-ray Scattering Measurements

机译：从200°C的Namontmorillonite与水和甲酸中的界面反应性和物种在200°C：反应性分子动力学模拟，红外光谱和X射线散射测量中的见解

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Murali Gopal Muraleedharan; Hassnain Asgar; Seung Ho Hahn; Nabankur Dasgupta; Greeshma Gadikota; Adri C.T. van Duin;
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1. Elucidating Thermally Induced Structural and Chemical Transformations in Kaolinite Using Reactive Molecular Dynamics Simulations and X-ray Scattering Measurements [J] . Muraleedharan Murali Gopal, Asgar Hassnain, Mohammed Sohaib, Chemistry of Materials: A Publication of the American Chemistry Society . 2020,第2期

机译：利用反应性分子动力学模拟和X射线散射测量阐明高岭土中热诱导的结构和化学转化
2. Molecular dynamics simulations of the interactions between TiO_2 nanoparticles and water with Na~+ and Cl~-, methanol, and formic acid using a reactive force field [J] . Sung-Yup Kim, Adri C.T. van Duin, James D. Kubicki Journal of Materials Research . 2013,第3期

机译：利用反作用力场模拟TiO_2纳米颗粒与水与Na〜+和Cl〜-，甲醇和甲酸相互作用的分子动力学模拟
3. Self-Assembly of Silica Nanoparticles at Water-Hydrocarbon Interfaces: Insights from In Operando Small-Angle X-ray Scattering Measurements and Molecular Dynamics Simulations [J] . Mohammed Sohaib, Asgar Hassnain, Kuzmenko Ivan, Energy & fuels . 2020,第10期

机译：在水 - 碳氢化合物接口的二氧化硅纳米粒子的自组装：在Operando小角度X射线散射测量和分子动力学模拟中的见解
4. Atomic Insights into Material Removal Mechanisms in Si and Cu Chemical Mechanical Polishing Processes: ReaxFF Reactive Molecular Dynamics Simulations [C] . Jialin Wen, Tianbao Ma, Xinchun Lu, International Conference on Planarization/CMP Technology . 2017

机译：Si和Cu化学机械抛光工艺中的原子洞察材料去除机制：Reaxff反应性分子动力学模拟
5. High-resolution infrared spectroscopy: Jet-cooled halogenated methyl radicals and reactive scattering dynamics in an atom + polyatom system. [D] . Whitney, Erin Sue. 2006

机译：高分辨率红外光谱：喷射冷却的卤代甲基自由基和原子+多原子系统中的反应性散射动力学。
6. Small angle X-ray scattering and molecular dynamic simulations provide molecular insight for stability of recombinant human transferrin [O] . Alina Kulakova, Sowmya Indrakumar, Pernille Sønderby, 2020

机译：小角度X射线散射和分子动力学模拟为重组人转铁蛋白的稳定性提供分子见解
7. Interfacial Reactivity and Speciation Emerging from Na-Montmorillonite Interactions with Water and Formic Acid at 200 C: Insights from Reactive Molecular Dynamics Simulations, Infrared Spectroscopy, and Xray Scattering Measurements [O] . -1

机译：200C：反应性分子动力学模拟，红外光谱和X射线散射测量的200c：Intermigal与水和甲酸与水和甲酸相互作用的界面反应性和物种。

Interfacial Reactivity and Speciation Emerging from Namontmorillonite Interactions with Water and Formic Acid at 200°C: Insights from Reactive Molecular Dynamics Simulations, Infrared Spectroscopy, and X-ray Scattering Measurements

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