Zhizhao Wang

Comparison of the GECKO-A and SAPRC MechGen Atmospheric Chemical Mechanism Generators

Julia Lee-Taylor, William P. L. Carter, Bernard Aumont, John J. Orlando et autres

Abstract. Atmospheric chemical mechanisms describe the photolysis and oxidation reactions of volatile organic compounds (VOCs), including bimolecular and unimolecular reactions of product radicals. Fully explicit representation of a single VOC can require thousands to millions of chemical reactions and species. Consequently, explicit …

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Reply on RC1

Zhizhao Wang

Abstract. Comprehensive atmospheric chemical mechanisms for volatile organic compound (VOC) oxidation contain thousands to millions of reactions and species, presenting major computational challenges for large-scale or long-term simulations. As mechanism complexity continues to increase, reduction strategies are required to enable their use …

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Reply on RC2

Zhizhao Wang

Abstract. Comprehensive atmospheric chemical mechanisms for volatile organic compound (VOC) oxidation contain thousands to millions of reactions and species, presenting major computational challenges for large-scale or long-term simulations. As mechanism complexity continues to increase, reduction strategies are required to enable their use …

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Supplementary material to "Comparison of the GECKO-A and SAPRC MechGen Atmospheric Chemical Mechanism Generators"

Julia Lee-Taylor, William P. L. Carter, Bernard Aumont, John J. Orlando et autres

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GECKO-MechGen-Comparison-2026_Data_Supplement

Julia Lee-Taylor, William Carter, Bernard Aumont, John J. Orlando et autres

This dataset contains the chemical mechanisms and model results used in the manuscript "Comparison of the GECKO-A and MechGen Atmospheric Chemical Mechanism Generators; Lee-Taylor, J.M., Carter, P.L., Aumont, B., Orlando, J.J., Wang, Z., Camredon, M., Valorso, R., & Barsanti, K. (2026)", in …

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GECKO-MechGen-Comparison-2026_Data_Supplement

Julia Lee-Taylor, William Carter, Bernard Aumont, John J. Orlando et autres

This dataset contains the chemical mechanisms and model results used in the manuscript "Comparison of the GECKO-A and MechGen Atmospheric Chemical Mechanism Generators; Lee-Taylor, J.M., Carter, P.L., Aumont, B., Orlando, J.J., Wang, Z., Camredon, M., Valorso, R., & Barsanti, K. (2026)", in …

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GECKO-MechGen-Comparison-2026_Code_Supplement

Julia Lee-Taylor, Bernard Aumont, William Carter, John J. Orlando et autres

This dataset contains the box model codes used in the manuscript "Comparison of the GECKO-A and MechGen Atmospheric Chemical Mechanism Generators; Lee-Taylor, J.M., Carter, P.L., Aumont, B., Orlando, J.J., Wang, Z., Camredon, M., Valorso, R., & Barsanti, K. (2026)", in preparation for …

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GECKO-MechGen-Comparison-2026_Code_Supplement

Julia Lee-Taylor, Bernard Aumont, William Carter, John J. Orlando et autres

This dataset contains the box model codes used in the manuscript "Comparison of the GECKO-A and MechGen Atmospheric Chemical Mechanism Generators; Lee-Taylor, J.M., Carter, P.L., Aumont, B., Orlando, J.J., Wang, Z., Camredon, M., Valorso, R., & Barsanti, K. (2026)", in preparation for …

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Photoredox/Cobalt Dual Catalysis Enables C(sp3)C(sp2)/C(sp) Bond Construction via a Biomimetic Approach

Zhizhao Wang, Gui Yin, Q Q Wang, Xin-Yi Shi et autres

We developed a photoredox–cobalt synergistic biomimetic reaction, constructing an unsaturated molecular library. Remarkably, we demonstrate the synthesis of a series of polysubstituted cinnamaldehydes. Furthermore, reported an unprecedented property of α‑fluoroalkyl compounds, defluorination was absent in the presence of a cobaloxime catalyst or …

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Supplementary material to "Molecular representation of benzene and phenol secondary organic aerosols"

Aurélien Le Bayon, Aliisa Ojala, Siddharth Iyer, Zhizhao Wang et autres

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Molecular representation of benzene and phenol secondary organic aerosols

Aurélien Le Bayon, Aliisa Ojala, Siddharth Iyer, Zhizhao Wang et autres

Abstract. Recent experimental and theoretical work has highlighted missing pathways in the oxidation of aromatic compounds, with consequences for the formation of highly oxygenated products relevant to secondary organic aerosol (SOA) formation. In this study we develop an updated, quasi-explicit oxidation mechanism …

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GENOA v3.0.0 mechanisms

Zhizhao Wang

This archive contains the reference GECKO-A chemical mechanisms and the corresponding reduced mechanisms developed using the GENOA v3 framework. The mechanisms are organized by precursor and reduction approach, including threshold-based reduction (TBR) and simulation-based reduction (SBR). Species, reaction, and companion files for …

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