Hessian QM9: A quantum chemistry database of molecular Hessians in implicit solvents.
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| Title: | Hessian QM9: A quantum chemistry database of molecular Hessians in implicit solvents. |
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| Authors: | Williams NJ; IBM Research, Hursley, SO21 2JN, UK. nw7g140@gmail.com.; Department of Materials, Imperial College London, Exhibition Road, London, SW7 2AZ, UK. nw7g140@gmail.com., Kabalan L; Hartree Centre, Science and Technology Facilities Council, Daresbury Laboratory, Daresbury, WA4 4AB, UK., Stojanovic L; Hartree Centre, Science and Technology Facilities Council, Daresbury Laboratory, Daresbury, WA4 4AB, UK., Zólyomi V; Hartree Centre, Science and Technology Facilities Council, Daresbury Laboratory, Daresbury, WA4 4AB, UK., Pyzer-Knapp EO; IBM Research, Hursley, SO21 2JN, UK. |
| Source: | Scientific data [Sci Data] 2025 Jan 03; Vol. 12 (1), pp. 9. Date of Electronic Publication: 2025 Jan 03. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101640192 Publication Model: Electronic Cited Medium: Internet ISSN: 2052-4463 (Electronic) Linking ISSN: 20524463 NLM ISO Abbreviation: Sci Data Subsets: MEDLINE; PubMed not MEDLINE |
| Database: | MEDLINE Ultimate |
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| ISSN: | 2052-4463 |
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| DOI: | 10.1038/s41597-024-04361-2 |
