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Computational Approaches for the Prediction of Environmenta..:

Christopher J. Knutson (11553114) ; Nicholas C. Pflug (2561917) ; Wyanna Yeung (11553117)...
https://figshare.com/articles/journal_contribution/Computational_Approaches_for_the_Prediction_of_Environmental_Transformation_Products_Chlorination_of_Steroidal_Enones/16799253. , 2021

Link: https://doi.org/10.1021/acs.est.1c04659.s001

RT Journal
T1 <Title>Computational Approaches for the Prediction of Environmental Transformation Products: Chlorination of Steroidal Enones</Title>

UL https://suche.suub.uni-bremen.de/peid=base-ftsmithonian:oai:figshare.com:article_16799253&Exemplar=1&LAN=DE
				
A1 Christopher J. Knutson (11553114)
A1 Nicholas C. Pflug (2561917)
A1 Wyanna Yeung (11553117)
A1 Matthew Grobstein (11553120)
A1 Eric V. Patterson (1395514)
A1 David M. Cwiertny (1366878)
A1 James B. Gloer (1374456)
YR 2021
K1 Biochemistry
K1 Microbiology
K1 Genetics
K1 Molecular Biology
K1 Physiology
K1 Biotechnology
K1 Infectious Diseases
K1 Plant Biology
K1 Biological Sciences not elsewhere classified
K1 Chemical Sciences not elsewhere classified
K1 Information Systems not elsewhere classified
K1 g
K1 dienogest
K1 17β
K1 environmentally relevant conditions
K1 emerging pollutant classes
K1 density functional theory
K1 common chemical disinfectant
K1 although slight deviations
K1 500 mg cl
K1 transformation products generated
K1 substituted altrenogest )
K1 environmental transformation products
K1 simple steroidal enone
K1 structurally related steroids
K1 although products consistent
K1 spontaneous c4 chlorination
K1 laboratory chlorination reactions
K1 silico predictions suggest
K1 help predict products
K1 help predict
K1 c4 chlorination
K1 silico predictions
K1 reactions proceed
K1 epoxide products
K1 also consistent
K1 yield 4
K1 work highlights
K1 trienones )
K1 risk assessment
K1 rich substituents
K1 new tools
K1 higher concentrations
K1 growing interest
K1 epoxide structures
K1 effectively unreactive
K1 computational expectations
K1 computational approaches
JF https://figshare.com/articles/journal_contribution/Computational_Approaches_for_the_Prediction_of_Environmental_Transformation_Products_Chlorination_of_Steroidal_Enones/16799253
LK http://dx.doi.org/https://doi.org/10.1021/acs.est.1c04659.s001
DO https://doi.org/10.1021/acs.est.1c04659.s001
SF ELIB - SuUB Bremen

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