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      Properties of the water to boron nitride interaction: From zero to two dimensions with benchmark accuracy

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          Most cited references 107

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          Generalized Gradient Approximation Made Simple

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            From ultrasoft pseudopotentials to the projector augmented-wave method

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              Projector augmented-wave method

               P. Blöchl (1994)
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                Author and article information

                Journal
                JCPSA6
                The Journal of Chemical Physics
                J. Chem. Phys.
                AIP Publishing
                0021-9606
                1089-7690
                July 28 2017
                July 28 2017
                July 28 2017
                : 147
                : 4
                : 044710
                Affiliations
                [1 ]Thomas Young Centre and London Centre for Nanotechnology, 17–19 Gordon Street, London WC1H 0AH, United Kingdom
                [2 ]Physics and Materials Science Research Unit, University of Luxembourg, L-1511 Luxembourg, Luxembourg
                [3 ]Fritz Haber Institute of the Max Planck Society, Faradayweg 4-6, 14195 Berlin, Germany
                [4 ]Department of Earth Sciences, University College London, Gower Street, London WC1E 6BT, United Kingdom
                [5 ]Max Planck Institute for Solid State Research, Heisenbergstraße 1, D-70569 Stuttgart, Germany
                [6 ]University of Vienna, Faculty of Physics and Center for Computational Materials Sciences, Sensengasse 8/12, 1090 Wien, Austria
                [7 ]Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, United Kingdom
                [8 ]Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AH, United Kingdom
                Article
                10.1063/1.4985878
                © 2017

                https://publishing.aip.org/authors/rights-and-permissions

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