Bibliographic Details
| Title: |
First principles pKa calculations on carboxylic acids using the SMD solvation model: effect of thermodynamic cycle, model chemistry, and explicit solvent molecules. |
| Authors: |
Sutton CC; Department of Chemical and Biomolecular Engineering, The University of Melbourne, Victoria 3010, Australia., Franks GV, da Silva G |
| Source: |
The journal of physical chemistry. B [J Phys Chem B] 2012 Oct 04; Vol. 116 (39), pp. 11999-2006. Date of Electronic Publication: 2012 Sep 20. |
| Publication Type: |
Journal Article |
| 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: PubMed not MEDLINE |
| Database: |
MEDLINE Ultimate |
