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      Solvent-mediated charge separation drives alternative hydrogenation path of furanics in liquid water

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          Generalized Gradient Approximation Made Simple

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            Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set

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              Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points

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                Author and article information

                Journal
                Nature Catalysis
                Nat Catal
                Springer Nature
                2520-1158
                April 1 2019
                Article
                10.1038/s41929-019-0257-z
                e991a36f-0ba3-46cb-a369-d916d815d7f2
                © 2019

                http://www.springer.com/tdm

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