2014
DOI: 10.1142/s0219633614500515
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Theoretical studies on the pyrolysis of (Thion)carbonates

Abstract: MP2/6-31G(d) was employed to investigate the theoretical calculations on the pyrolysis of alkyl methyl (thion)carbonates, where alkyl groups referred to ethyl, isopropyl and t-butyl groups. Nine possible pathways were considered for the pyrolysis of alkyl methyl thioncarbonates, while only seven possible pathways were found to pyrolyze alkyl methyl carbonates. Both of them had three pathways to generate the desired alkene products. Not only thermal elimination pathways were calculated, other possible mechanism… Show more

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Cited by 7 publications
(2 citation statements)
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“…12,14,[23][24][25][26] However, studies on the toxicology of nanoscale DTX were not clear enough, especially on reproductive toxicity. Through this study, we have provided evidences supporting the hypothesis that NP delivery systems could reduce the reproductive toxicity of DTX in rodents.…”
Section: Discussionmentioning
confidence: 99%
“…12,14,[23][24][25][26] However, studies on the toxicology of nanoscale DTX were not clear enough, especially on reproductive toxicity. Through this study, we have provided evidences supporting the hypothesis that NP delivery systems could reduce the reproductive toxicity of DTX in rodents.…”
Section: Discussionmentioning
confidence: 99%
“…The generated mass-loss curves for blends are checked against the experimental data for any differences that may be used as evidence of synergistic effects attributed to coal/algae interactions. The application of computers and their software in modelling and simulation has already been demonstrated by a number of researchers in their different fields of study (Csukás et al 2013;Nyoni et al 2017;Wu and Li 2014). Secondly, a kinetic study on the co-pyrolysis of coal and algae is carried out.…”
Section: Introductionmentioning
confidence: 99%