Computer-aided estimation of kinetic rate constant for degradation of volatile organic compounds by hydroxyl radical: An improved model using quantum chemical and norm descriptors-Reference-Cited by-同舟云学术

Computer-aided estimation of kinetic rate constant for degradation of volatile organic compounds by hydroxyl radical: An improved model using quantum chemical and norm descriptors

Published:2022-02 Issue: Volume:248 Page:117244
ISSN:0009-2509
Container-title:Chemical Engineering Science
language:en
Short-container-title:Chemical Engineering Science

Author:

Shi Yajuan,Li Jin-Jin,Wang Qiang,Jia Qingzhu,Yan Fangyou,Luo Zheng-Hong,Zhou Yin-Ning

Funder

Tianjin Municipal Science and Technology Bureau

Shanghai Municipal Natural Science Foundation

National Natural Science Foundation of China

Shanghai Municipal Human Resources and Social Security Bureau

Publisher

Elsevier BV

Subject

Applied Mathematics,Industrial and Manufacturing Engineering,General Chemical Engineering,General Chemistry

Reference66 articles.

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3. A structure-activity relationship for the estimation of rate constants for the gas-phase reactions of OH radicals with organic compounds;Atkinson;Int. J. Chem. Kinet.,1987

4. Atmospheric degradation of volatile organic compounds;Atkinson;Chem. Rev.,2003

5. Multi-target QSPR modeling for simultaneous prediction of multiple gas-phase kinetic rate constants of diverse chemicals;Basant;Atmos. Environ.,2018

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