Quantum Chemical and QM/MM Models in Biochemistry.
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DOI: 10.1007/978-1-4939-9608-7_4
Abstract: Quantum chemical (QC) calculations provide a basis for deriving a microscopic understanding of enzymes and photobiological systems. Here we describe how QC models can be used to explore the electronic structure, dynamics, and energetics of… read more here.
Keywords: biochemistry; models biochemistry; quantum chemical; chemical models ... See more keywords
Chemical models of interstellar cyanomethanimine isomers
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DOI: 10.1093/mnras/staa1979
Abstract: The E-isomer of cyanomethanimine (HNCHCN) was first identified in Sagittarius B2(N) (Sgr B2(N)) by a comparison of the publicly available Green Bank Telescope (GBT) PRIMOS survey with laboratory rotational spectra. Recently, Z-cyanomethanimine was detected in the quiescent… read more here.
Keywords: models interstellar; cyanomethanimine isomers; chemical models; cyanomethanimine ... See more keywords
Effects of Fluoride on Two Chemical Models of Enamel Demineralization
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DOI: 10.3390/ma10111245
Abstract: This study evaluated the effects of fluoride on subsurface enamel demineralization induced by two commonly used chemical models. Forty-eight enamel blocks were demineralized at pH = 5.0 by an acetate buffer (Group 1), a lactate… read more here.
Keywords: effects fluoride; enamel demineralization; group; chemical models ... See more keywords