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Ayers, Paul W., Parr, Robert G. (2000) Variational Principles for Describing Chemical Reactions:  The Fukui Function and Chemical Hardness Revisited. Journal Of The American Chemical Society, 122 (9) 2010-2018 doi:10.1021/ja9924039

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Reference TypeJournal (article/letter/editorial)
TitleVariational Principles for Describing Chemical Reactions:  The Fukui Function and Chemical Hardness Revisited
JournalJournal Of The American Chemical Society
AuthorsAyers, Paul W.Author
Parr, Robert G.Author
Year2000 (March)Volume122
Issue9
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/ja9924039Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID1570461Long-form Identifiermindat:1:5:1570461:8
GUID0
Full ReferenceAyers, Paul W., Parr, Robert G. (2000) Variational Principles for Describing Chemical Reactions:  The Fukui Function and Chemical Hardness Revisited. Journal Of The American Chemical Society, 122 (9) 2010-2018 doi:10.1021/ja9924039
Plain TextAyers, Paul W., Parr, Robert G. (2000) Variational Principles for Describing Chemical Reactions:  The Fukui Function and Chemical Hardness Revisited. Journal Of The American Chemical Society, 122 (9) 2010-2018 doi:10.1021/ja9924039
In(2000, March) Journal Of The American Chemical Society Vol. 122 (9) American Chemical Society (ACS)

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Ayers, Paul W., Parr, Robert G. (2001) Variational Principles for Describing Chemical Reactions. Reactivity Indices Based on the External Potential. Journal Of The American Chemical Society, 123 (9) 2007-2017 doi:10.1021/ja002966g
Ayers, Paul W., Morrison, Robert C., Roy, Ram K. (2002) Variational principles for describing chemical reactions: Condensed reactivity indices. The Journal of Chemical Physics, 116 (20). 8731-8744 doi:10.1063/1.1467338
Chattaraj, Pratim K., Cedillo, Andrés, Parr, Robert G. (1995) Variational method for determining the Fukui function and chemical hardness of an electronic system. The Journal of Chemical Physics, 103 (17). 7645-7646 doi:10.1063/1.470284
Ayers, Paul W., Parr, Robert G. (2008) Local hardness equalization: Exploiting the ambiguity. The Journal of Chemical Physics, 128 (18). 184108pp. doi:10.1063/1.2918731
Zhou, Zhongxiang, Parr, Robert G. (1990) Activation hardness: new index for describing the orientation of electrophilic aromatic substitution. Journal Of The American Chemical Society, 112 (15) 5720-5724 doi:10.1021/ja00171a007
Ayers, Paul W., Parr, Robert G. (2008) Beyond electronegativity and local hardness: Higher-order equalization criteria for determination of a ground-state electron density. The Journal of Chemical Physics, 129 (5). 54111pp. doi:10.1063/1.2957900
Miranda-Quintana, Ramón Alain, Ayers, Paul W. (2018) Note: Maximum hardness and minimum electrophilicity principles. The Journal of Chemical Physics, 148 (19). 196101pp. doi:10.1063/1.5033964
Zhou, Zhongxiang, Parr, Robert G. (1989) New measures of aromaticity: absolute hardness and relative hardness. Journal Of The American Chemical Society, 111 (19) 7371-7379 doi:10.1021/ja00201a014
Ayers, Paul W., Parr, Robert G., Pearson, Ralph G. (2006) Elucidating the hard/soft acid/base principle: A perspective based on half-reactions. The Journal of Chemical Physics, 124 (19). 194107pp. doi:10.1063/1.2196882
Parr, Robert G., Chattaraj, Pratim K. (1991) Principle of maximum hardness. Journal Of The American Chemical Society, 113 (5) 1854-1855 doi:10.1021/ja00005a072
Chattaraj, Pratim K., Cedillo, Andrés, Parr, Robert G. (1995) Fukui function from a gradient expansion formula, and estimate of hardness and covalent radius for an atom. The Journal of Chemical Physics, 103 (24). 10621-10626 doi:10.1063/1.469847
 
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