The Internal Relation between Quantum Chemical Descriptors and Empirical Constants of Polychlorinate...
The Internal Relation between Quantum Chemical Descriptors and Empirical Constants of Polychlorinated Compounds
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Author / Creator
Fei, Jiangchi , Mao, Qiming , Peng, Lu , Ye, Tiantian , Yang, Yuan and Luo, Shuang
Publisher
Switzerland: MDPI AG
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Language
English
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Publisher
Switzerland: MDPI AG
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Contents
Quantum chemical descriptors and empirical parameters are two different types of chemical parameters that play the fundamental roles in chemical reactivity and model development. However, previous studies have lacked detail regarding the relationship between quantum chemical descriptors and empirical constants. We selected polychlorinated biphenyls...
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Full title
The Internal Relation between Quantum Chemical Descriptors and Empirical Constants of Polychlorinated Compounds
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TN_cdi_doaj_primary_oai_doaj_org_article_9a567a274ba2457b927798ee2e7ab9b0
Permalink
https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_doaj_primary_oai_doaj_org_article_9a567a274ba2457b927798ee2e7ab9b0
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ISSN
1420-3049
E-ISSN
1420-3049
DOI
10.3390/molecules23112935
