[1]J.P. Perdew, R.G. Parr, M. Levy, and J.L. Jr. Balduz. Density-functional theory for fractional particle number: derivative discontinuities of the energy. Phys. Rev. Lett., 49(23):1691–1694, 1982. doi:10.1103/PhysRevLett.49.1691.
[2]P.W. Ayers. The dependence on and continuity of the energy and other molecular properties with respect to the number of electrons. J. Math. Chem., 43(1):285–303, 2008. doi:10.1007/s10910-006-9195-5.
[3]R.G. Parr, R.A. Donnelly, M. Levy, and W.E. Palke. Electronegativity: the density functional viewpoint. J. Chem. Phys., 68(8):3801–3807, 1978. doi:10.1063/1.436185.
[4]R.G. Parr and R.G. Pearson. Absolute hardness: companion parameter to absolute electronegativity. J. Am. Chem. Soc., 105(26):7512–7516, 1983. doi:10.1021/ja00364a005.
[5]R.G. Parr and L.J. Bartolotti. On the geometric mean principle for electronegativity equalization. J. Am. Chem. Soc., 104(14):3801–3803, 1982. doi:10.1021/ja00378a004.
[6]P. Fuentealba and C. Cardenas. On the exponential model for energy with respect to number of electrons. J. Mol. Model., 19(7):2849–2853, 2013. doi:10.1007/s00894-012-1708-5.
[7]F. Heidar-Zadeh, R Alain Miranda-Quintana, T. Verstraelen, P. Bultinck, and P.W. Ayers. When is the fukui function not normalized? the danger of inconsistent energy interpolation models in density functional theory. J. Chem. Theory Comput., 12(12):5777–5787, 2016. doi:10.1021/acs.jctc.6b00494.
[8]W.T. Yang and W.J. Mortier. The use of global and local molecular parameters for the analysis of the gas-phase basicity of amines. J. Am. Chem. Soc., 108(18):5708–5711, 1986. doi:10.1021/ja00279a008.
[9]P.K. Chattaraj, B. Maiti, and U. Sarkar. Philicity: a unified treatment of chemical reactivity and selectivity. J. Phys. Chem. A, 107(25):4973–4975, 2003. doi:10.1021/jp034707u.
[10]P.K. Chattaraj, U. Sarkar, and D.R. Roy. Electrophilicity index. Chem. Rev., 106(6):2065–2091, 2006. doi:10.1021/cr040109f.
[11]P. W. Ayers, R. C. Morrison, and R. K. Roy. Variational principles for describing chemical reactions: condensed reactivity indices. J. Chem. Phys., 116(20):8731–8744, 2002. doi:10.1063/1.1467338.
[12]P Bultinck, S. Fias, C. Van Alsenoy, P.W. Ayers, and R. Carbó-Dorca. Critical thoughts on computing atom condensed fukui functions. J. Chem. Phys., 127(3):034102, 2007. doi:10.1063/1.2749518.
[13]F. Heidar-Zadeh, M. Richer, S. Fias, R.A. Miranda-Quintana, M. Chan, M. Franco-Perez, C. E. Gonzalez-Espinoza, T.D. Kim, C. Lanssens, A.H.G. Patel, X.D. Yang, E. Vohringer-Martinez, C. Cardenas, T. Verstraelen, and P. W. Ayers. An explicit approach to conceptual density functional theory descriptors of arbitrary order. Chem. Phys. Lett., 660:307–312, 2016. doi:10.1016/j.cplett.2016.07.039.
[14]R.P. Iczkowski and J.L. Margrave. Electronegativity. J. Am. Chem. Soc., 83(17):3547–3551, 1961. doi:10.1021/ja01478a001.
[15]Ralph G. Pearson. Hard and soft acids and bases. J. Am. Chem. Soc., 85(22):3533–3539, 1963. doi:10.1021/ja00905a001.
[16]Ralph G. Pearson. Hard and soft acids and bases, hsab, part 1: fundamental principles. J. Chem. Educ., 45(9):581–587, 1968. doi:10.1021/ed045p581.
[17]Ralph G. Pearson. Hard and soft acids and bases, hsab, part ii: underlying theories. J. Chem. Educ., 45(10):643–648, 1968. doi:10.1021/ed045p643.
[18]R. F. Nalewajski and R. G. Parr. Legendre transforms and maxwell relations in density functional theory. J. Chem. Phys., 77(1):399–407, 1982. doi:10.1063/1.443620.
[19]R.G. Parr, L. Von Szentpaly, and S. Liu. Absolute hardness: companion parameter to absolute electronegativity. J. Am. Chem. Soc., 121(9):1922–1924, 1999. doi:10.1021/ja983494x.
[20]L.R. Domingo, M. Rios-Gutierrez, and P. Perez. Applications of the conceptual density functional theory indices to organic chemistry reactivity. Molecules, 21(6):748, 2016. doi:10.3390/molecules21060748.
[21]R. Contreras, J. Andres, V. S. Safont, P. Campodonico, and J. G. Santos. A theoretical study on the relationship between nucleophilicity and ionization potentials in solution phase. J. Phys. Chem. A, 107(29):5588–5593, 2003. doi:10.1021/jp0302865.
[22]P.W. Ayers, J.S.M. Anderson, J.I. Rodriguez, and Z. Jawed. Indices for predicting the quality of leaving groups. Phys. Chem. Chem. Phys., 7(9):1918–1925, 2005. doi:10.1039/B500996K.
[23]H. Hellmann. Einführung in die Quantenchemie. Leipzig: Franz Deuticke, 1937.
[24]R.P. Feynman. Forces in molecules. Phys. Rev., 56(4):340–343, 1939. doi:10.1103/PhysRev.56.340.
[25]K. Fukui, T. Yonezawa, and H. Shingu. A molecular orbital theory of reactivity in aromatic hydrocarbons. J. Chem. Phys., 20(4):722–725, 1952. doi:10.1063/1.1700523.
[26]R.G. Parr and W. Yang. Density functional approach to the frontier-electron theory of chemical reactivity. J. Am. Chem. Soc., 106(14):4049–4050, 1984. doi:10.1021/ja00326a036.
[27]C. Morell, A. Grand, and A. Toro-Labbé. New dual descriptor for chemical reactivity. J. Phys. Chem., 109(1):205–212, 2005. doi:10.1021/jp046577a.
[28]W Yang and R G Parr. Hardness, softness, and the fukui function in the electronic theory of metals and catalysis. Proc. Natl. Acad. Sci. U.S.A., 82(20):6723–6726, 1985. doi:10.1073/pnas.82.20.6723.