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Atmospheric chemistry of CH(3)CHO: the hydrolysis of CH(3)CHO catalyzed by H(2)SO(4).
Tan XF , Long B , Ren DS , Zhang WJ , Long ZW , Mitchell E . Tan XF , et al. Phys Chem Chem Phys. 2018 Mar 14;20(11):7701-7709. doi: 10.1039/c7cp07312g. Phys Chem Chem Phys. 2018. PMID: 29498386
Herein, we use electronic structure methods with CCSD(T)/CBS accuracy and canonical variational transition state theory combined with small-curvature tunneling to study the reaction mechanism and kinetics of the hydrolysis of CH(3)CHO. The calculated results show that the …
Herein, we use electronic structure methods with CCSD(T)/CBS accuracy and canonical variational transition state theory combined with small- …
Neurometabolite levels in the brains of patients with autism spectrum disorders: A meta-analysis of proton magnetic resonance spectroscopy studies (N = 1501).
Du Y, Chen L, Yan MC, Wang YL, Zhong XL, Xv CX, Li YB, Cheng Y. Du Y, et al. Mol Psychiatry. 2023 Jul;28(7):3092-3103. doi: 10.1038/s41380-023-02079-y. Epub 2023 Apr 28. Mol Psychiatry. 2023. PMID: 37117459
A random-effects meta-analysis demonstrated that compared with the healthy controls, patients with ASD had lower N-acetyl-aspartate-containing compound (NAA) and choline-containing compound (Cho) levels and NAA/(creatine-containing compound) Cr ratios in the gray matter an …
A random-effects meta-analysis demonstrated that compared with the healthy controls, patients with ASD had lower N-acetyl-aspartate-containi …
Ammonolysis of Glyoxal at the Air-Water Nanodroplet Interface.
Dong Z, Francisco JS, Long B. Dong Z, et al. Angew Chem Int Ed Engl. 2024 Feb 5;63(6):e202316060. doi: 10.1002/anie.202316060. Epub 2024 Jan 2. Angew Chem Int Ed Engl. 2024. PMID: 38084872
The reactions of glyoxal (CHO)(2) ) with amines in cloud processes contribute to the formation of brown carbon and oligomer particles in the atmosphere. ...These results showed that the air-water nanodroplet ammonolysis reactions of glyoxal with dimethylamine and methylami …
The reactions of glyoxal (CHO)(2) ) with amines in cloud processes contribute to the formation of brown carbon and oligomer particles …
Insights into the thermal degradation mechanisms of polyethylene terephthalate dimer using DFT method.
Huang J, Meng H, Luo X, Mu X, Xu W, Jin L, Lai B. Huang J, et al. Chemosphere. 2022 Mar;291(Pt 2):133112. doi: 10.1016/j.chemosphere.2021.133112. Epub 2021 Nov 29. Chemosphere. 2022. PMID: 34856241
The research results show that the primary products of PET dimer pyrolysis are terephthalic acid, vinyl terephthalate, CH(3)CHO and divinyl terephthalate. CH(3)CHO is mainly formed by a concerted reaction in the initial degradation process, and CO(2) is mainly produ …
The research results show that the primary products of PET dimer pyrolysis are terephthalic acid, vinyl terephthalate, CH(3)CHO and d …
Quantitative Kinetics of HO2 Reactions with Aldehydes in the Atmosphere: High-Order Dynamic Correlation, Anharmonicity, and Falloff Effects Are All Important.
Long B, Xia Y, Truhlar DG. Long B, et al. J Am Chem Soc. 2022 Nov 2;144(43):19910-19920. doi: 10.1021/jacs.2c07994. Epub 2022 Oct 20. J Am Chem Soc. 2022. PMID: 36264240
Here, we use computational chemistry to obtain quantitative rate constants for the reactions of HO(2) with HCHO, CH(3)CHO, and CF(3)CHO. First, we calculate the high-pressure-limit rate constants by using a dual-level strategy that combines conventional transition s …
Here, we use computational chemistry to obtain quantitative rate constants for the reactions of HO(2) with HCHO, CH(3)CHO, and CF(3) …
24 results