Microkinetic modeling of aqueous phase biomass conversion: Application to ethylene glycol reforming von Gu, Geun Ho, Wittreich, Gerhard R., Vlachos, Dionisios G.

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Catalytic resonance of ammonia synthesis by simulated dynamic ruthenium crystal strain von Wittreich, Gerhard R, Liu, Shizhong, Dauenhauer, Paul J, Vlachos, Dionisios G

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Direct HCN synthesis via plasma-assisted conversion of methane and nitrogen von Kamarinopoulou, Nefeli S, Wittreich, Gerhard R, Vlachos, Dionisios G

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Hydrodeoxygenation of m-Cresol Over Pt-WOx/C Using H2 Generated In Situ by n-Hexane Dehydrogenation von Wang, Cong, Wittreich, Gerhard R., Lin, Chao, Huang, Renjing, Vlachos, Dionisios G., Gorte, Raymond J.

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A Python Multiscale Thermochemistry Toolbox (pMuTT) for thermochemical and kinetic parameter estimation von Lym, Jonathan, Wittreich, Gerhard R., Vlachos, Dionisios G.

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Python Group Additivity (pGrAdd) software for estimating species thermochemical properties von Wittreich, Gerhard R., Vlachos, Dionisios G.

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Multiscale modeling of hydrogenolysis of ethane and propane on Ru(0001): Implications for plastics recycling von Xie, Tianjun, Wittreich, Gerhard R., Vlachos, Dionisios G.

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Python Group Additivity (pGrAdd) software for estimating species thermochemical properties von Wittreich, Gerhard R., Vlachos, Dionisios G.

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Multiscale modeling of hydrogenolysis of ethane and propane on Ru(0001): Implications for plastics recycling von Xie, Tianjun, Wittreich, Gerhard R., Vlachos, Dionisios G.

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Assessing the Binding of Plastics Additives at Brønsted Acid Sites of Zeolites von Yang, Piaoping, Wittreich, Gerhard, Ngu, Jacqueline, Vlachos, Dionisios G.

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Uncertainty Quantification and Error Propagation in the Enthalpy and Entropy of Surface Reactions Arising from a Single DFT Functional von Wittreich, Gerhard R., Gu, Geun Ho, Robinson, Daniel J., Katsoulakis, Markos A., Vlachos, Dionisios G.

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Machine-Learning-Enabled Thermochemistry Estimator von Xie, Tianjun, Wittreich, Gerhard R, Curnan, Matthew T, Gu, Geun Ho, Seals, Kayla N, Tolbert, Justin S

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A Python Multiscale Thermochemistry Toolbox (pMuTT) for thermochemical and kinetic parameter estimation von Lym, Jonathan, Wittreich, Gerhard R., Vlachos, Dionisios G.

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Uncertainty Quantification and Error Propagation in the Enthalpy and Entropy of Surface Reactions Arising from a Single DFT Functional von Wittreich, Gerhard R., Gu, Geun Ho, Robinson, Daniel J., Katsoulakis, Markos A., Vlachos, Dionisios G.

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Uncertainty Quantification and Error Propagation in the Enthalpy and Entropy of Surface Reactions Arising from a Single DFT Functional von Wittreich, Gerhard R., Gu, Geun Ho, Robinson, Daniel J., Katsoulakis, Markos A., Vlachos, Dionisios G.

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Microkinetic modeling of aqueous phase biomass conversion: Application to ethylene glycol reforming von Gu, Geun Ho, Wittreich, Gerhard R., Vlachos, Dionisios G.

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Kinetic Studies of Acid Hydrolysis of Food Waste-Derived Saccharides von Ebikade, Elvis, Lym, Jonathan, Wittreich, Gerhard, Saha, Basudeb, Vlachos, Dionisios G

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Accurate Thermochemistry of Complex Lignin Structures via Density Functional Theory, Group Additivity, and Machine Learning von Li, Qiang, Wittreich, Gerhard, Wang, Yifan, Bhattacharjee, Himaghna, Gupta, Udit, Vlachos, Dionisios G

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Hydrodeoxygenation of m-Cresol Over Pt-WO.sub.x/C Using H.sub.2 Generated In Situ by n-Hexane Dehydrogenation von Wang, Cong, Wittreich, Gerhard R, Lin, Chao, Huang, Renjing, Vlachos, Dionisios G, Gorte, Raymond J

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Accurate Thermochemistry of Complex Lignin Structures via Density Functional Theory, Group Additivity, and Machine Learning von Li, Qiang, Wittreich, Gerhard, Wang, Yifan, Bhattacharjee, Himaghna, Gupta, Udit, Vlachos, Dionisios G.

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