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Assessment of a variety of dispersion-corrected density functional theory calculations used in molecular crystal structure prediction
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
BioMed Central
2012
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3341297/ http://dx.doi.org/10.1186/1758-2946-4-S1-O15 |
| _version_ | 1782231520026558464 |
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| author | Doser, Bernd Neumann, Marcus A |
| author_facet | Doser, Bernd Neumann, Marcus A |
| author_sort | Doser, Bernd |
| collection | PubMed |
| description | |
| format | Online Article Text |
| id | pubmed-3341297 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2012 |
| publisher | BioMed Central |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-33412972012-05-02 Assessment of a variety of dispersion-corrected density functional theory calculations used in molecular crystal structure prediction Doser, Bernd Neumann, Marcus A J Cheminform Oral Presentation BioMed Central 2012-05-01 /pmc/articles/PMC3341297/ http://dx.doi.org/10.1186/1758-2946-4-S1-O15 Text en Copyright ©2012 Doser and Neumann; licensee BioMed Central Ltd. http://creativecommons.org/licenses/by/2.0 This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/2.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. |
| spellingShingle | Oral Presentation Doser, Bernd Neumann, Marcus A Assessment of a variety of dispersion-corrected density functional theory calculations used in molecular crystal structure prediction |
| title | Assessment of a variety of dispersion-corrected density functional theory calculations used in molecular crystal structure prediction |
| title_full | Assessment of a variety of dispersion-corrected density functional theory calculations used in molecular crystal structure prediction |
| title_fullStr | Assessment of a variety of dispersion-corrected density functional theory calculations used in molecular crystal structure prediction |
| title_full_unstemmed | Assessment of a variety of dispersion-corrected density functional theory calculations used in molecular crystal structure prediction |
| title_short | Assessment of a variety of dispersion-corrected density functional theory calculations used in molecular crystal structure prediction |
| title_sort | assessment of a variety of dispersion-corrected density functional theory calculations used in molecular crystal structure prediction |
| topic | Oral Presentation |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3341297/ http://dx.doi.org/10.1186/1758-2946-4-S1-O15 |
| work_keys_str_mv | AT doserbernd assessmentofavarietyofdispersioncorrecteddensityfunctionaltheorycalculationsusedinmolecularcrystalstructureprediction AT neumannmarcusa assessmentofavarietyofdispersioncorrecteddensityfunctionaltheorycalculationsusedinmolecularcrystalstructureprediction |