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Published in 2019 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.25845
Abstract: A series of new donor–acceptor cryptands, where pyramidalized donor (azaadamantane) and acceptor (bora/ala/adamantane) molecules are spatially oriented toward each other and linked via aromatic spacer, are constructed and computationally studied at M06‐2X and ωB97X‐D levels…
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Keywords:
hydrogen splitting;
pyramidalized donor;
hydrogen;
donor acceptor ... See more keywords