Wang Z - Search Results

1

Elucidating the photodissociation fingerprint and quantifying the determination of organic hydroperoxides in gas-phase autoxidation.

Hu Z, Di Q, Liu B, Li Y, He Y, Zhu Q, Xu Q, Dagaut P, Hansen N, Sarathy SM, Xing L, Truhlar DG, Wang Z. Hu Z, et al. Among authors: wang z. Proc Natl Acad Sci U S A. 2023 Mar 7;120(10):e2220131120. doi: 10.1073/pnas.2220131120. Epub 2023 Feb 27. Proc Natl Acad Sci U S A. 2023. PMID: 36848575 Free PMC article.

2

Modeling Ignition of a Heptane Isomer: Improved Thermodynamics, Reaction Pathways, Kinetics, and Rate Rule Optimizations for 2-Methylhexane.

Mohamed SY, Cai L, Khaled F, Banyon C, Wang Z, Al Rashidi MJ, Pitsch H, Curran HJ, Farooq A, Sarathy SM. Mohamed SY, et al. Among authors: wang z. J Phys Chem A. 2016 Apr 14;120(14):2201-17. doi: 10.1021/acs.jpca.6b00907. Epub 2016 Mar 31. J Phys Chem A. 2016. PMID: 26998618

3

Quantification of the Keto-Hydroperoxide (HOOCH₂OCHO) and Other Elusive Intermediates during Low-Temperature Oxidation of Dimethyl Ether.

Moshammer K, Jasper AW, Popolan-Vaida DM, Wang Z, Bhavani Shankar VS, Ruwe L, Taatjes CA, Dagaut P, Hansen N. Moshammer K, et al. Among authors: wang z. J Phys Chem A. 2016 Oct 13;120(40):7890-7901. doi: 10.1021/acs.jpca.6b06634. Epub 2016 Oct 4. J Phys Chem A. 2016. PMID: 27641828 Free article.

4

Hydroperoxide Measurements During Low-Temperature Gas-Phase Oxidation of n-Heptane and n-Decane.

Rodriguez A, Herbinet O, Meng X, Fittschen C, Wang Z, Xing L, Zhang L, Battin-Leclerc F. Rodriguez A, et al. Among authors: wang z. J Phys Chem A. 2017 Mar 9;121(9):1861-1876. doi: 10.1021/acs.jpca.6b10378. Epub 2017 Feb 28. J Phys Chem A. 2017. PMID: 28190356

5

Heats of Formation of Medium-Sized Organic Compounds from Contemporary Electronic Structure Methods.

Minenkov Y, Wang H, Wang Z, Sarathy SM, Cavallo L. Minenkov Y, et al. Among authors: wang h, wang z. J Chem Theory Comput. 2017 Aug 8;13(8):3537-3560. doi: 10.1021/acs.jctc.7b00335. Epub 2017 Jul 10. J Chem Theory Comput. 2017. PMID: 28636351

6

Degradation of Carbonyl Hydroperoxides in the Atmosphere and in Combustion.

Xing L, Bao JL, Wang Z, Zhang F, Truhlar DG. Xing L, et al. Among authors: wang z. J Am Chem Soc. 2017 Nov 8;139(44):15821-15835. doi: 10.1021/jacs.7b08297. Epub 2017 Oct 27. J Am Chem Soc. 2017. PMID: 29022349

7

Unraveling the structure and chemical mechanisms of highly oxygenated intermediates in oxidation of organic compounds.

Wang Z, Popolan-Vaida DM, Chen B, Moshammer K, Mohamed SY, Wang H, Sioud S, Raji MA, Kohse-Höinghaus K, Hansen N, Dagaut P, Leone SR, Sarathy SM. Wang Z, et al. Among authors: wang h. Proc Natl Acad Sci U S A. 2017 Dec 12;114(50):13102-13107. doi: 10.1073/pnas.1707564114. Epub 2017 Nov 28. Proc Natl Acad Sci U S A. 2017. PMID: 29183984 Free PMC article.

8

Theoretical kinetic study of the formic acid catalyzed Criegee intermediate isomerization: multistructural anharmonicity and atmospheric implications.

Monge-Palacios M , Rissanen MP , Wang Z , Sarathy SM . Monge-Palacios M , et al. Among authors: wang z. Phys Chem Chem Phys. 2018 Apr 25;20(16):10806-10814. doi: 10.1039/c7cp08538a. Phys Chem Chem Phys. 2018. PMID: 29411814

9

Relative Rates of Hydrogen Shift Isomerizations Depend Strongly on Multiple-Structure Anharmonicity.

Xing L, Bao JL, Wang Z, Wang X, Truhlar DG. Xing L, et al. Among authors: wang x, wang z. J Am Chem Soc. 2018 Dec 19;140(50):17556-17570. doi: 10.1021/jacs.8b09381. Epub 2018 Dec 6. J Am Chem Soc. 2018. PMID: 30468384

10

Multistructural Anharmonicity Controls the Radical Generation Process in Biofuel Combustion.

Xing L, Wang Z, Truhlar DG. Xing L, et al. Among authors: wang z. J Am Chem Soc. 2019 Nov 20;141(46):18531-18543. doi: 10.1021/jacs.9b09194. Epub 2019 Nov 7. J Am Chem Soc. 2019. PMID: 31637914

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