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

Volltext

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

Volltext

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

Volltext

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.

Volltext

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

Volltext

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

Volltext

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

Volltext

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

Volltext

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

Volltext

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

Volltext

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

Volltext

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.

Volltext

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

Volltext

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.

Volltext

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.

Volltext

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

Volltext

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

Volltext

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

Volltext

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

Volltext

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.

Volltext