QUBEKit: Automating the Derivation of Force Field Parameters from Quantum Mechanics.
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| Title: | QUBEKit: Automating the Derivation of Force Field Parameters from Quantum Mechanics. |
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| Authors: | Horton JT; School of Natural and Environmental Sciences , Newcastle University , Newcastle upon Tyne NE1 7RU , United Kingdom., Allen AEA; TCM Group , Cavendish Laboratory , 19 JJ Thomson Avenue , Cambridge CB3 0HE , United Kingdom., Dodda LS; Department of Chemistry , Yale University , New Haven , Connecticut 06520-8107 , United States., Cole DJ; School of Natural and Environmental Sciences , Newcastle University , Newcastle upon Tyne NE1 7RU , United Kingdom. |
| Source: | Journal of chemical information and modeling [J Chem Inf Model] 2019 Apr 22; Vol. 59 (4), pp. 1366-1381. Date of Electronic Publication: 2019 Feb 22. |
| Publication Type: | Journal Article; Research Support, Non-U.S. Gov't |
| Journal Info: | Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-960X (Electronic) Linking ISSN: 15499596 NLM ISO Abbreviation: J Chem Inf Model Subsets: MEDLINE |
| Database: | MEDLINE Ultimate |
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