Basis-set optimization for first-principles simulation of liquid water.
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| Title: | Basis-set optimization for first-principles simulation of liquid water. |
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| Authors: | Kumar, Santosh1 (AUTHOR), Schelling, Patrick K.1 (AUTHOR) pschell@mail.ucf.edu |
| Source: | International Journal of Quantum Chemistry. 2007, Vol. 107 Issue 3, p556-566. 11p. 1 Diagram, 2 Charts, 8 Graphs. |
| Database: | Academic Search Ultimate |
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| ISSN: | 00207608 |
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| DOI: | 10.1002/qua.21180 |