Cover Image, Volume 117, Issue 20 | Zendy

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Cover Image, Volume 117, Issue 20

Publication year - 2017

Publication title -

international journal of quantum chemistry

Language(s) - English

Resource type - Reports

SCImago Journal Rank - 0.484

H-Index - 105

eISSN - 1097-461X

pISSN - 0020-7608

DOI - 10.1002/qua.25274

Subject(s) - cover (algebra) , hydride , chemistry , citation , computer science , ketose , philosophy , computational chemistry , theoretical physics , aldose , stereochemistry , library science , physics , organic chemistry , engineering , mechanical engineering , glycoside , hydrogen

Using first‐principles calculations in article e25434, Gabriel da Silva and coworkers present a novel double hydride mechanism that can result in the interconversion of hydroxyacetone (left) and 2‐hydroxypropanal (right) in a single step with a low reaction barrier (∼ 40 kcal/mol). This reaction serves as a model for aldose‐ketose rearrangement, a fundamental process in carbohydrate chemistry. (DOI: 10.1002/qua.25434 ).

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