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Article
Open AccessUltrafast excited state dynamics and light-switching of [Ru(phen)2(dppz)]2+ in G-quadruplex DNA
The triplet metal to ligand charge transfer (3MLCT) luminescence of ruthenium (II) polypyridyl complexes offers attractive imaging properties, specifically towards the development of sensitive and structure-speci...
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Article
Open AccessProgress in the research of GSH in cells
Glutathione (GSH), γ-Glu-Cys-Gly, is one of the most abundant small non-protein thiol molecules in mammalian tissues, particularly in the liver. Although glutathione is present in thiol-reduced (GSH) and disul...
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Article
Theoretical study on the reaction mechanism of (CH3)3CO+CO
The reaction mechanism of (CH3)3CO with CO has been theoretically investigated using density-functional theory (DFT) calculations at B3LYP/6-31G* level. In order to get more reliable energy values the single-poin...
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Article
Theoretical study on thermal decomposition of azoisobutyronitrile in ground state
The thermal decomposition mechanisms of azoisobutyronitrile (AIBN) in the ground state have been investigated systematically. Based on the potential energy surfaces (PES) of various possible dissociation paths...
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Article
Theoretical study on the reaction mechanism of (CH3)3CO. radical with NO
The reaction mechanism of (CH3)3CO. radical with NO is theoretically investigated at the B3LYP/6-31G* level. The results show that the reaction is multi-channel in the single state and triplet state. The potentia...