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2022“` This change replaces the complex “Group” structure with the simple “Text” field structure that the `author_list` field requires. Let me know if it still doesn’t appear after you update the code!2022
An Integrated Assessment of Emissions, Air Quality, and Public Health Impacts of China’s Transition to Electric Vehicles
Environmental Science & Technology (accepted)(Special Issue: Urban Air Pollution)2022“` This change replaces the complex “Group” structure with the simple “Text” field structure that the `author_list` field requires. Let me know if it still doesn’t appear after you update the code!2022Automatically generated model for light alkene combustion
Combustion and Flame2411120802022“` This change replaces the complex “Group” structure with the simple “Text” field structure that the `author_list` field requires. Let me know if it still doesn’t appear after you update the code!2022Examining the Accuracy of Methods for Obtaining Pressure Dependent Rate Coefficients
Faraday Discussions–2022“` This change replaces the complex “Group” structure with the simple “Text” field structure that the `author_list` field requires. Let me know if it still doesn’t appear after you update the code!2022Multiscale Modeling and Characterization of Radical-Initiated Modification of Molten Polyolefins
Macromolecules555901–59152022“` This change replaces the complex “Group” structure with the simple “Text” field structure that the `author_list` field requires. Let me know if it still doesn’t appear after you update the code!2022High accuracy barrier heights, enthalpies, and rate coefficients for chemical reactions
Scientific Data91–122022“` This change replaces the complex “Group” structure with the simple “Text” field structure that the `author_list` field requires. Let me know if it still doesn’t appear after you update the code!2022Fast Predictions of Reaction Barrier Heights: Toward Coupled-Cluster Accuracy
The Journal of Physical Chemistry A1263976–39862022“` This change replaces the complex “Group” structure with the simple “Text” field structure that the `author_list` field requires. Let me know if it still doesn’t appear after you update the code!2022The RMG Database for Chemical Property Prediction
2022“` This change replaces the complex “Group” structure with the simple “Text” field structure that the `author_list` field requires. Let me know if it still doesn’t appear after you update the code!2022A Machine Learning Based Approach to Reaction Rate Estimation
2022“` This change replaces the complex “Group” structure with the simple “Text” field structure that the `author_list` field requires. Let me know if it still doesn’t appear after you update the code!2022Automated Reaction Kinetics and Network Exploration (Arkane): A Statistical Mechanics, Thermodynamics, Transition State Theory, and Master Equation Software
2022“` This change replaces the complex “Group” structure with the simple “Text” field structure that the `author_list` field requires. Let me know if it still doesn’t appear after you update the code!2022Predicting Solubility Limits of Organic Solutes for a Wide Range of Solvents and Temperatures
Journal of the American Chemical Society2021“` This change replaces the complex “Group” structure with the simple “Text” field structure that the `author_list` field requires. Let me know if it still doesn’t appear after you update the code!2021Regio-selectivity prediction with a machine-learned reaction representation and on-the-fly quantum mechanical descriptors
Chemical Science122198-22082021“` This change replaces the complex “Group” structure with the simple “Text” field structure that the `author_list` field requires. Let me know if it still doesn’t appear after you update the code!2021Predicting polycyclic aromatic hydrocarbon formation with an automatically generated mechanism for acetylene pyrolysis
International Journal of Chemical Kinetics5327-422021“` This change replaces the complex “Group” structure with the simple “Text” field structure that the `author_list` field requires. Let me know if it still doesn’t appear after you update the code!2021Transfer learning for solvation free energies: From quantum chemistry to experiments
Chemical Engineering Journal4181293072021“` This change replaces the complex “Group” structure with the simple “Text” field structure that the `author_list` field requires. Let me know if it still doesn’t appear after you update the code!2021Reaction Mechanism Generator v3.0: Advances in Automatic Mechanism Generation
Journal of Chemical Information and Modeling612686–26962021“` This change replaces the complex “Group” structure with the simple “Text” field structure that the `author_list` field requires. Let me know if it still doesn’t appear after you update the code!2021Learning to Optimize Molecular Geometries Using Reinforcement Learning
Journal of Chemical Theory and Computation17818-8252021“` This change replaces the complex “Group” structure with the simple “Text” field structure that the `author_list` field requires. Let me know if it still doesn’t appear after you update the code!2021Kinetic Modeling of API Oxidation: 1. The AIBN/H2O/CH3OH Radical “Soup”
Molecular Pharmaceutics183037–30492021“` This change replaces the complex “Group” structure with the simple “Text” field structure that the `author_list` field requires. Let me know if it still doesn’t appear after you update the code!2021Oxidation and pyrolysis of methyl propyl ether
International Journal of Chemical Kinetics53915-9382021“` This change replaces the complex “Group” structure with the simple “Text” field structure that the `author_list` field requires. Let me know if it still doesn’t appear after you update the code!2021Predicting Infrared Spectra with Message Passing Neural Networks
Journal of Chemical Information and Modeling612594–26092021“` This change replaces the complex “Group” structure with the simple “Text” field structure that the `author_list` field requires. Let me know if it still doesn’t appear after you update the code!2021EHreact: Extended Hasse Diagrams for the Extraction and Scoring of Enzymatic Reaction Templates
Journal of Chemical Information and Modeling614949–49612021“` This change replaces the complex “Group” structure with the simple “Text” field structure that the `author_list` field requires. Let me know if it still doesn’t appear after you update the code!2021C14H10 Polycyclic Aromatic Hydrocarbons Formation by Acetylene Addition to Naphthalenyl Radicals Observed
Physical Chemistry Chemical Physics2314325-143392021“` This change replaces the complex “Group” structure with the simple “Text” field structure that the `author_list` field requires. Let me know if it still doesn’t appear after you update the code!2021GEOMOL: Torsional Geometric Generation of Molecular 3D Conformer Ensembles
Advances in Neural Information Processing Systems342021“` This change replaces the complex “Group” structure with the simple “Text” field structure that the `author_list` field requires. Let me know if it still doesn’t appear after you update the code!2021Screening for New Pathways in Atmospheric Oxidation Chemistry with Automated Mechanism Generation
Journal of Physical Chemistry A1256772–67882021“` This change replaces the complex “Group” structure with the simple “Text” field structure that the `author_list` field requires. Let me know if it still doesn’t appear after you update the code!2021Machine learning of reaction properties via learned representations of the condensed graph of reaction
Journal of Chemical Information and Modeling(Special Issue: From Reaction Informatics to Chemical Space)2021“` This change replaces the complex “Group” structure with the simple “Text” field structure that the `author_list` field requires. Let me know if it still doesn’t appear after you update the code!2021Group Contribution and Machine Learning Approaches to Predict Abraham Solute Parameters, Solvation Free Energy, and Solvation Enthalpy
Journal of Chemical Information and Modeling62433-4462021“` This change replaces the complex “Group” structure with the simple “Text” field structure that the `author_list` field requires. Let me know if it still doesn’t appear after you update the code!2021Effects of Surface Species and Homogeneous Reactions on Rates and Selectivity in Ethane Oxidation on Oxide Catalysts
AICHE Journal67e17483
Fundamental and Applied Chemical Kinetics