NWChem: Past, present, and future
© 2020 U.S. Government. Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts and for the prediction of atomistic and electronic properties. In this regard, electronic struct...
| Médium: | Článek |
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| Jazyk: | English |
| Vydáno: |
AIP Publishing
2022
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| On-line přístup: | https://hdl.handle.net/1721.1/141333 |