受强制性开放获取政策约束的文章 - Gerhard R Wittreich, PhD, PE了解详情
可在其他位置公开访问的文章：10 篇
A Python Multiscale Thermochemistry Toolbox (pMuTT) for thermochemical and kinetic parameter estimation
J Lym, GR Wittreich, DG Vlachos
Computer Physics Communications 247, 106864, 2020
强制性开放获取政策： US Department of Energy
Catalytic resonance of ammonia synthesis by simulated dynamic ruthenium crystal strain
GR Wittreich, S Liu, PJ Dauenhauer, DG Vlachos
Science Advances 8 (4), eabl6576, 2022
强制性开放获取政策： US Department of Energy
Multiscale modeling of hydrogenolysis of ethane and propane on Ru (0001): Implications for plastics recycling
T Xie, GR Wittreich, DG Vlachos
Applied Catalysis B: Environmental 316, 121597, 2022
强制性开放获取政策： US National Science Foundation, US Department of Energy
Microkinetic modeling of aqueous phase biomass conversion: Application to ethylene glycol reforming
GH Gu, GR Wittreich, DG Vlachos
Chemical Engineering Science 197, 415-418, 2019
强制性开放获取政策： US Department of Energy
Kinetic studies of acid hydrolysis of food waste-derived saccharides
E Ebikade, J Lym, G Wittreich, B Saha, DG Vlachos
Industrial & Engineering Chemistry Research 57 (51), 17365-17374, 2018
强制性开放获取政策： US Department of Energy
Hydrodeoxygenation of m-Cresol Over Pt-WOx/C Using H2 Generated In Situ by n-Hexane Dehydrogenation
C Wang, GR Wittreich, C Lin, R Huang, DG Vlachos, RJ Gorte
Catalysis Letters 150, 913-921, 2020
强制性开放获取政策： US Department of Energy
Accurate thermochemistry of complex lignin structures via density functional theory, group additivity, and machine learning
Q Li, G Wittreich, Y Wang, H Bhattacharjee, U Gupta, DG Vlachos
ACS Sustainable Chemistry & Engineering 9 (8), 3043-3049, 2021
强制性开放获取政策： US National Science Foundation, US Department of Energy
Catalytic resonance of ammonia synthesis by dynamic ruthenium crystal strain
G Wittreich, S Liu, P Dauenhauer, D Vlachos
强制性开放获取政策： US Department of Energy
Python Group Additivity (pGrAdd) software for estimating species thermochemical properties
GR Wittreich, DG Vlachos
Computer Physics Communications 273, 108277, 2022
强制性开放获取政策： US Department of Energy
Uncertainty quantification and error propagation in the enthalpy and entropy of surface reactions arising from a single DFT functional
GR Wittreich, GH Gu, DJ Robinson, MA Katsoulakis, DG Vlachos
The Journal of Physical Chemistry C 125 (33), 18187-18196, 2021
强制性开放获取政策： US National Science Foundation, US Department of Energy, US Department of …
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