1.14*CM1A-LBCC: Localized Bond-Charge Corrected CM1A Charges for Condensed-Phase Simulations.
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| Title: | 1.14*CM1A-LBCC: Localized Bond-Charge Corrected CM1A Charges for Condensed-Phase Simulations. |
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| Authors: | Dodda LS; Department of Chemistry, Yale University , New Haven, Connecticut 06520-8107, United States., Vilseck JZ; Department of Chemistry, Yale University , New Haven, Connecticut 06520-8107, United States., 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. B [J Phys Chem B] 2017 Apr 20; Vol. 121 (15), pp. 3864-3870. Date of Electronic Publication: 2017 Mar 02. |
| Publication Type: | Journal Article; Research Support, N.I.H., Extramural; Research Support, Non-U.S. Gov't |
| Journal Info: | Publisher: American Chemical Society Country of Publication: United States NLM ID: 101157530 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-5207 (Electronic) Linking ISSN: 15205207 NLM ISO Abbreviation: J Phys Chem B Subsets: MEDLINE |
| Database: | MEDLINE Ultimate |
| ISSN: | 1520-5207 |
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| DOI: | 10.1021/acs.jpcb.7b00272 |
