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      Degradation of Fatal Toxic Nerve Agents on Dry TiO 2

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          Generalized Gradient Approximation Made Simple

          John P Perdew, Kieron Burke, Matthias Ernzerhof (1997)
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            Projector augmented-wave method

            P. Blöchl (1994)
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              Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

              G Kresse, J. Furthmüller (1996)
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                Author and article information

                Contributors
                Monica McEntee: (View ORCID Profile)
                Maija M. Kuklja: (View ORCID Profile)
                Journal
                Title: ACS Applied Materials & Interfaces
                Abbreviated Title: ACS Appl. Mater. Interfaces
                Publisher: American Chemical Society (ACS)
                ISSN (Print): 1944-8244
                ISSN (Electronic): 1944-8252
                Publication date Created: January 13 2021
                Publication date (Electronic): December 22 2020
                Publication date (Print): January 13 2021
                Volume: 13
                Issue: 1
                Pages: 696-705
                Affiliations
                [1 ]Materials Science and Engineering Department, University of Maryland, College Park, Maryland 20742, United States
                [2 ]US Army Combat Capabilities Development Command Chemical Biological Center, 8198 Blackhawk Road, Aberdeen Proving Ground, Maryland 21010, United States
                Article
                DOI: 10.1021/acsami.0c19261
                SO-VID: e2e637bd-45bc-48d3-8d8b-61a1ca243ba4
                Copyright © © 2021
                License:

                https://doi.org/10.15223/policy-029

                https://doi.org/10.15223/policy-037

                https://doi.org/10.15223/policy-045

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