References
- P.L.A. Popelier in Chemical Concepts from Quantum Mechanics, Vol. 135 of Faraday Discussions, edited by P.L.A. Popelier (The Royal Society of Chemistry, Cambridge, 2007), pp. 1–516.
- G.N. Lewis, J. Am. Chem. Soc. 38(4), 762–785 (1916).
- E. Schrödinger, Ann. Phys. 385(13), 437–490 (1926).
- R.J. Gillespie and R.S. Nyholm, Q. Rev. Chem. Soc. 11(4), 339–380 (1957).
- R.J. Gillespie, J. Chem. Educ. 47(1), 18–23 (1970).
- R.S. Mulliken, J. Chem. Phys. 23(10), 1833–1840 (1955).
- F.L. Hirshfeld,; Theor. Chim. Acta 44 (2), 129–138 (1977).
- R.F.W. Bader, Chem. Rev. 91(5), 893–928 (1991).
- P. Bultinck and P. Popelier, in Chemical Reactivity Theory, A Density Functional View, edited by P.K. Chattaraj (CRC Press, Boca Raton, FL, 2009), pp. 215–227.
- R. Ponec and M. Strnad, Int. J. Quant. Chem. 50(1), 43–53 (1994).
- K.B. Wiberg, Tetrahedron 24(3), 1083–1096 (1968).
- X. Fradera, M.A. Austen, and R.F.W. Bader, J. Phys. Chem. A 103(2), 304–314 (1999).
- R. Ponec and D.L. Cooper, J. Mol. Struct.: THEOCHEM 727(1), 133–138 (2005).
- M. Giambiagi, M.S. de Giambiagi, and K.C. Mundim, Struct. Chem. 1(5), 423–427 (1990).
- P. Bultinck, R. Ponec, and S. van Damme, J. Phys. Org. Chem. 18(8), 706–718 (2005).
- R. Ponec, J. Math. Chem. 21(3), 323–333 (1997).
- E. Francisco, Á.M. Pendás, and M.A. Blanco,; J. Chem. Phys. 126(9), 094102 (2007).
- Á.M. Pendás, E. Francisco, and M.A. Blanco, Phys. Chem. Chem. Phys. 9(9), 1087–1092 (2007).
- Á.M. Pendás, E. Francisco, and M.A. Blanco, J. Chem. Phys. 127(14), 144103 (2007).
- Á.M. Pendás, E. Francisco, and M.A. Blanco, J. Phys. Chem. A 111(6), 1084–1090 (2007).
- E. Francisco, Á.M. Pendás, and M.A. Blanco, Comput. Phys. Commun. 178(8), 621–634 (2008).
- E. Francisco and Á.M. Pendás, Comput. Phys. Commun. 185, 2663 (2014).
- A. Savin, in Reviews of Modern Quantum Chemistry: A Celebration of the Contributions of Robert G. Parr, edited by K.D. Sen (World Scientific, Singapore, 2002), Vol. 1, pp. 43–62.
- R. Daudel, H. Brion, and S. Odiot, J. Chem. Phys. 23(11), 2080–2083 (1955).
- P.W. Ayers, J. Chem. Sci. 117(5), 441–454 (2005).
- M. Kohout, Int. J. Quant. Chem. 97(1), 651–658 (2004).
- A. Savin, J. Phys. Chem. Solid. 65(12), 2025–2029 (2004).
- E. Cancès, R. Keriven, F. Lodier, and A. Savin, Theor. Chem. Acc. 111(2–6), 373–380 (2004).
- E. Chamorro, P. Fuentealba, and A. Savin, J. Comput. Chem. 24(4), 496–504 (2003).
- A. Gallegos, R. Carbó-Dorca, F. Lodier, E. Cancès, and A. Savin, J. Comput. Chem. 26(5), 455–460 (2005).
- A. Scemama, J. Theor. Comput. Chem. 4(02), 397–409 (2005).
- A. Scemama, M. Caffarel, and A. Savin, J. Comput. Chem. 28(1), 442–454 (2007).
- M. Causà and A. Savin, J. Phys. Chem. A 115(45), 13139–13148 (2011).
- M. Causà and A. Savin, Z. Anorg. Allg. Chem. 637(7–8), 882–884 (2011).
- M. Causà, M. D'Amore, C. Garzillo, F. Gentile, and A. Savin, in Applications of Density Functional Theory to Biological and Bioinorganic Chemistry, edited by M.V. Putz and D.M.P. Mingos (Springer-Verlag, Berlin, 2013), pp. 119–141.
- M. Menéndez, Á.M. Pendás, B. Braïda, and A. Savin, Comput. Theor. Chem. 1053, 142 (2015).
- M. Causà, M. D’Amore, F. Gentile, M. Menendez, and M. Calatayud, Comput. Theor. Chem. 1053, 315 (2015).
- O.M. Lopes Jr., B. Braïda, M. Causà, and A. Savin, in Advances in the Theory of Quantum Systems in Chemistry and Physics, edited by P.E. Hoggan, E.J. Brändas, J. Maruani, P. Piecuch, and G. Delgado-Barrio (Spinger, Dordrecht, 2012), pp. 173–184.
- M. Menéndez and Á.M. Pendás, Theor. Chem. Acc. 133(9), 1–8 (2014).
- J. Hubbard, in Proceedings of the Royal Society of London A: Mathematical, Physical and Engineering Sciences (The Royal Society, London, 1963), Vol. 276, pp. 238–257.
- E. Hückel, Z. Phys. 60(7–8), 423–456 (1930).
- N.C. Handy, Chem. Phys. Lett. 74(2), 280–283 (1980).
- J.Olsen, B.O. Roos, P. Jørgensen, and J.H. Jensen, J. Chem. Phys. 89(4), 2185–2192 (1988).
- R.W. Hamming, Bell Syst. Tech. J. 29(2), 147–160 (1950).
- R.F.W. Bader, A. Streitwieser, A. Neuhaus, K.E. Laidig, and P. Speers, J. Am. Chem. Soc. 118(21), 4959–4965 (1996).
- R.F.W. Bader and M.E. Stephens, J. Am. Chem. Soc. 97(26), 7391–7399 (1975).
- T. Thorsteinsson, D.L. Cooper, J. Gerratt, P.B. Karadakov, and M. Raimondi, Theor. Chim. Acta 93(6), 343–366 (1996).
- T. Thorsteinsson and D.L. Cooper, Theor. Chim. Acta 94(4), 233–245 (1996).
- W. Wu, D. Danovich, A. Shurki, and S. Shaik, J. Phys. Chem. A 104(38), 8744–8758 (2000).