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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.
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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  Data: Hessian QM9: A quantum chemistry database of molecular Hessians in implicit solvents.
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  Data: <searchLink fieldCode="AU" term="%22Williams+NJ%22">Williams NJ</searchLink>; IBM Research, Hursley, SO21 2JN, UK. nw7g140@gmail.com.; Department of Materials, Imperial College London, Exhibition Road, London, SW7 2AZ, UK. nw7g140@gmail.com.<br /><searchLink fieldCode="AU" term="%22Kabalan+L%22">Kabalan L</searchLink>; Hartree Centre, Science and Technology Facilities Council, Daresbury Laboratory, Daresbury, WA4 4AB, UK.<br /><searchLink fieldCode="AU" term="%22Stojanovic+L%22">Stojanovic L</searchLink>; Hartree Centre, Science and Technology Facilities Council, Daresbury Laboratory, Daresbury, WA4 4AB, UK.<br /><searchLink fieldCode="AU" term="%22Zólyomi+V%22">Zólyomi V</searchLink>; Hartree Centre, Science and Technology Facilities Council, Daresbury Laboratory, Daresbury, WA4 4AB, UK.<br /><searchLink fieldCode="AU" term="%22Pyzer-Knapp+EO%22">Pyzer-Knapp EO</searchLink>; IBM Research, Hursley, SO21 2JN, UK.
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  Data: <searchLink fieldCode="JN" term="%22101640192%22">Scientific data</searchLink> [Sci Data] 2025 Jan 03; Vol. 12 (1), pp. 9. <i>Date of Electronic Publication: </i>2025 Jan 03.
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        Value: 10.1038/s41597-024-04361-2
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