QM/MM Calculations for the Cl- + CH3Cl SN2 Reaction in Water Using CM5 Charges and Density Functional Theory.
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| Title: | QM/MM Calculations for the Cl- + CH |
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| Authors: | Tirado-Rives J; Department of Chemistry , Yale University , New Haven , Connecticut 06520-8107 , United States., Jorgensen WL; Department of Chemistry , Yale University , New Haven , Connecticut 06520-8107 , United States. |
| Source: | The journal of physical chemistry. A [J Phys Chem A] 2019 Jul 11; Vol. 123 (27), pp. 5713-5717. Date of Electronic Publication: 2019 Jun 27. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: American Chemical Society Country of Publication: United States NLM ID: 9890903 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-5215 (Electronic) Linking ISSN: 10895639 NLM ISO Abbreviation: J Phys Chem A Subsets: PubMed not MEDLINE |
| Database: | MEDLINE Ultimate |
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