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Published in 2018 at "Nature Communications"
DOI: 10.1038/s41467-018-04483-3
Abstract: Water is one of the most fundamental molecules in chemistry, biology and astrophysics. It exists as two distinct nuclear-spin isomers, para- and ortho-water, which do not interconvert in isolated molecules. The experimental challenges in preparing…
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Keywords:
trapped diazenylium;
diazenylium ions;
ortho water;
water ... See more keywords
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Published in 2017 at "Journal of Coordination Chemistry"
DOI: 10.1080/00958972.2016.1277023
Abstract: Abstract The structures and mechanisms for hydrogen abstraction from isopropylbenzene for four high-valence complexes, cis-β-[FeIV(O)(BQCN)]2+ (Fe-2b and Fe-2b-2) and cis-β-[RuIV(O)(BQCN)]2+ (Ru-2b and Ru-2b-2) (BQCN = N,N′-dimethyl-N,N′-bis(8-quinolyl)-cyclohexanediamine), were investigated using density functional theory. Of the two…
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Keywords:
topology;
reactivity;
theoretical investigation;
investigation different ... See more keywords