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Gázquez, José L., Vela, Alberto, Chattaraj, Pratim K. (2013) Local hardness equalization and the principle of maximum hardness. The Journal of Chemical Physics, 138 (21). 214103pp. doi:10.1063/1.4807887

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Reference TypeJournal (article/letter/editorial)
TitleLocal hardness equalization and the principle of maximum hardness
JournalThe Journal of Chemical Physics
AuthorsGázquez, José L.Author
Vela, AlbertoAuthor
Chattaraj, Pratim K.Author
Year2013 (June 7)Volume138
Issue21
PublisherAIP Publishing
DOIdoi:10.1063/1.4807887Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID2360249Long-form Identifiermindat:1:5:2360249:4
GUID0
Full ReferenceGázquez, José L., Vela, Alberto, Chattaraj, Pratim K. (2013) Local hardness equalization and the principle of maximum hardness. The Journal of Chemical Physics, 138 (21). 214103pp. doi:10.1063/1.4807887
Plain TextGázquez, José L., Vela, Alberto, Chattaraj, Pratim K. (2013) Local hardness equalization and the principle of maximum hardness. The Journal of Chemical Physics, 138 (21). 214103pp. doi:10.1063/1.4807887
In(2013, June) The Journal of Chemical Physics Vol. 138 (21) AIP Publishing

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Franco-Pérez, Marco, Gázquez, José L., Ayers, Paul W., Vela, Alberto (2017) Thermodynamic hardness and the maximum hardness principle. The Journal of Chemical Physics, 147 (7). 74113pp. doi:10.1063/1.4998701
Chattaraj, Pratim K., Ayers, Paul W. (2005) The maximum hardness principle implies the hard/soft acid/base rule. The Journal of Chemical Physics, 123 (8). 86101pp. doi:10.1063/1.2011395
Gázquez, José L., Garza, Jorge, Hinojosa, Fernando D., Vela, Alberto (2007) Chemical hardness and the discontinuity of the Kohn-Sham exchange-correlation potential. The Journal of Chemical Physics, 126 (21). 214105pp. doi:10.1063/1.2741529
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
Franco-Pérez, Marco, Ayers, Paul W., Gázquez, José L., Vela, Alberto (2017) Local chemical potential, local hardness, and dual descriptors in temperature dependent chemical reactivity theory. Physical Chemistry Chemical Physics, 19 (21). 13687-13695 doi:10.1039/c7cp00692f
Pan, Sudip, Chattaraj, Pratim K. (2017) Favorable Direction in a Chemical Reaction Through the Maximum Hardness Principle. Journal of the Mexican Chemical Society, 57. doi:10.29356/jmcs.v57i1.232
Pan, Sudip, Solà, Miquel, Chattaraj, Pratim K. (2013) On the Validity of the Maximum Hardness Principle and the Minimum Electrophilicity Principle during Chemical Reactions. The Journal of Physical Chemistry A, 117 (8). 1843-1852 doi:10.1021/jp312750n
Miranda-Quintana, Ramón Alain, Franco-Pérez, Marco, Gázquez, José L., Ayers, Paul W., Vela, Alberto (2018) Chemical hardness: Temperature dependent definitions and reactivity principles. The Journal of Chemical Physics, 149 (12). 124110pp. doi:10.1063/1.5040889
Franco-Pérez, Marco, Gázquez, José L., Ayers, Paul W., Vela, Alberto (2015) Revisiting the definition of the electronic chemical potential, chemical hardness, and softness at finite temperatures. The Journal of Chemical Physics, 143 (15). 154103pp. doi:10.1063/1.4932539
Chattaraj, Pratim K., Ayers, Paul W., Melin, Junia (2007) Further links between the maximum hardness principle and the hard/soft acid/base principle: insights from hard/soft exchange reactions. Physical Chemistry Chemical Physics, 9 (29). 3853pp. doi:10.1039/b705742c
Carmona-Espíndola, Javier, Flores, Anaid, Gázquez, José L., Vela, Alberto, Trickey, S. B. (2022) Hardness of molecules and bandgap of solids from a generalized gradient approximation exchange energy functional. The Journal of Chemical Physics, 157 (11) 114109 doi:10.1063/5.0096678
 
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