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Assessing the performance of density functional theory in optimizing molecular crystal structure parameters |
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Titel: |
Assessing the performance of density functional theory in optimizing molecular crystal structure parameters |
Auteur: |
Binns, Jack Healy, Mary R. Parsons, Simon Morrison, Carole A. |
Verschenen in: |
Acta crystallographica. Section B, Structural science, crystal engineering and materials |
Paginering: |
Jaargang 70 (2014) nr. 2 pagina's 259-267 |
Jaar: |
2014-04-01 |
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Uitgever: |
International Union of Crystallography, 5 Abbey Square, Chester, Cheshire CH1 2HU, England |
Bronbestand: |
Elektronische Wetenschappelijke Tijdschriften |
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