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Dixon, Steven L., Jurs, Peter C. (1993) Estimation of pKa for organic oxyacids using calculated atomic charges. Journal of Computational Chemistry, 14 (12). 1460-1467 doi:10.1002/jcc.540141208

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Reference TypeJournal (article/letter/editorial)
TitleEstimation of pKa for organic oxyacids using calculated atomic charges
JournalJournal of Computational Chemistry
AuthorsDixon, Steven L.Author
Jurs, Peter C.Author
Year1993 (December)Volume14
Issue12
PublisherWiley
DOIdoi:10.1002/jcc.540141208Search in ResearchGate
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Mindat Ref. ID3146023Long-form Identifiermindat:1:5:3146023:7
GUID0
Full ReferenceDixon, Steven L., Jurs, Peter C. (1993) Estimation of pKa for organic oxyacids using calculated atomic charges. Journal of Computational Chemistry, 14 (12). 1460-1467 doi:10.1002/jcc.540141208
Plain TextDixon, Steven L., Jurs, Peter C. (1993) Estimation of pKa for organic oxyacids using calculated atomic charges. Journal of Computational Chemistry, 14 (12). 1460-1467 doi:10.1002/jcc.540141208
In(1993, December) Journal of Computational Chemistry Vol. 14 (12) Wiley

See Also

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Dixon, Steven L., Jurs, Peter C. (1992) Atomic charge calculations for quantitative structure?property relationships. Journal of Computational Chemistry, 13 (4). 492-504 doi:10.1002/jcc.540130411
Dixon, Steven L., Jurs, Peter C. (1994) Fast geometry optimization using a modified extended Hückel method: Results for molecules containing H, C, N, O, and F. Journal of Computational Chemistry, 15 (7). 733-746 doi:10.1002/jcc.540150706
Wiberg, Kenneth B., Rablen, Paul R. (1993) Comparison of atomic charges derived via different procedures. Journal of Computational Chemistry, 14 (12). 1504-1518 doi:10.1002/jcc.540141213
Su, Zhengwei (1993) New method for the derivation of net atomic charges from the electrostatic potential. Journal of Computational Chemistry, 14 (9). 1036-1041 doi:10.1002/jcc.540140905
Griffin, Lawrence L., McAdoo, David J., Olivella, Santiago (1993) Evaluation of AM1-calculated radical cation ion-neutral complexes. Journal of Computational Chemistry, 14 (12). 1561-1574 doi:10.1002/jcc.540141219
(1993) Masthead. Journal of Computational Chemistry, 14 (12). doi:10.1002/jcc.540141201
Carlson, Heather A., Nguyen, Toan B., Orozco, Modesto, Jorgensen, William L. (1993) Accuracy of free energies of hydration for organic molecules from 6-31g*-derived partial charges. Journal of Computational Chemistry, 14 (10). 1240-1249 doi:10.1002/jcc.540141013
Park, Je Myung, Tai No, Kyoung, Jhon, Mu Shik, Scheraga, Harold A. (1993) Determination of net atomic charges using a modified partial equalization of orbital electronegativity method. III. Application to halogenated and aromatic molecules. Journal of Computational Chemistry, 14 (12). 1482-1490 doi:10.1002/jcc.540141210
Mullay, John (1991) A simple method for calculating atomic charges in charged molecular systems of biochemical interest. Journal of Computational Chemistry, 12 (3). 369-375 doi:10.1002/jcc.540120310
Pacios, L. Fernandez (1993) Analytical density-dependent representation of Hartree?Fock atomic potentials. Journal of Computational Chemistry, 14 (4). 410-421 doi:10.1002/jcc.540140405
Besler, Brent H., Merz, Kenneth M., Kollman, Peter A. (1990) Atomic charges derived from semiempirical methods. Journal of Computational Chemistry, 11 (4). 431-439 doi:10.1002/jcc.540110404
 
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