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• W2017113395 abstract "This paper focuses on describing the computational chemistry software, NWChem, and its use in materials science research. The current functionalities and capabilities are outlined, as well as future features. Specific computational examples are given to show the flexibility and usefulness of NWChem to answering materials science problems." @default.
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• W2017113395 date "2003-10-01" @default.
• W2017113395 modified "2023-10-17" @default.
• W2017113395 title "NWChem for materials science" @default.
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• W2017113395 doi "https://doi.org/10.1016/s0927-0256(03)00108-3" @default.
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