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References
Fisher RA (1925) Proc Cambridge Philos Soc 22:700
Frieden BR (2004) Physics from the Fisher information—a unification, 2nd edn. Cambridge University, Cambridge
Shannon CE (1948) Bell System Tech J 27:379, 623
Shannon CE, Weaver W (1949) The mathematical theory of communication. University of Illinois, Urbana
Kullback S, Leibler RA (1951) Ann Math Stat 22: 79
Kullback S (1959) Information theory and statistics. Wiley, New York
Abramson N (1963) Information theory and coding. McGraw-Hill, New York
Pfeifer PE (1978) Concepts of probability theory, 2nd edn. Dover, New York
Nalewajski RF (2006) Information theory of molecular systems. Elsevier, Amsterdam
Nalewajski RF (2010) Information origins of the chemical bond. Nova, New York
Nalewajski RF (2012) Perspectives in electronic structure theory. Springer, Heidelberg (in press)
Nalewajski RF (2011) In: Hong WI (ed) Mathematical chemistry. Nova, New York, p 247
Nalewajski RF (2011) In: Putz MV (ed) Chemical information and computation challenges in 21st century. Nova Science Publishers, New York (in press)
Nalewajski RF, deSilva P, Mrozek J (2011) In: Roy AK (ed) Theoretical and computational developments in modern density functional theory. Nova Science Publishers, New York (in press)
Nalewajski RF, Åšwitka E, Michalak A (2002) Int J Quantum Chem 87:198
Nalewajski RF, Broniatowska E (2003) J Phys Chem A 107:6270
Nalewajski RF, Parr RG (2000) Proc Natl Acad Sci USA 97:8879
Nalewajski RF, Loska R (2001) Theoret Chem Acc 105:374
Nalewajski RF (2002) Phys Chem Chem Phys 4:1710
Nalewajski RF (2003) Chem Phys Lett 372:28
Parr RG, Ayers PW, Nalewajski RF (2005) J Phys Chem A 109:3957
Nalewajski RF (2003) Adv Quant Chem 43:119
Nalewajski RF, Broniatowska E (2007) Theoret Chem Acc 117:7
Nalewajski RF, Parr RG (2001) J Phys Chem A 105:7391
Hirshfeld FL (1977) Theoret Chim Acta (Berl) 44:129
Nalewajski RF (2008) Int J Quantum Chem 108:2230
Nalewajski RF (2010) J Math Chem 47:667
Nalewajski RF, deSilva P, Mrozek J (2010) J Mol Struct Theochem 954:57
Nalewajski RF, Köster AM, Escalante S (2005) J Phys Chem A 109:10038
Becke AD, Edgecombe KE (1990) J Chem Phys 92:5397
Silvi B, Savin A (1994) Nature 371:683
Savin A, Nesper R, Wengert S, Fässler TF (1997) Angew Chem Int Ed Engl 36:1808
Nalewajski RF (2000) J Phys Chem A 104:11940
Nalewajski RF, Jug K (2002) In: Sen KD (ed) Reviews of modern quantum chemistry: a celebration of the contributions of Robert G. Parr, Vol. I. World Scientific, Singapore, p. 148
Nalewajski RF (2004) Struct Chem 15:391
Nalewajski RF (2004) Mol Phys 102:531, 547
Nalewajski RF (2005) Theoret Chem Acc 114:4
Nalewajski RF (2008) J Math Chem 43:265
Nalewajski RF (2009) Int J Quantum Chem 109:425
Nalewajski RF (2005) Mol Phys 103:451
Nalewajski RF (2006) Mol Phys 104:365, 493, 1977, 2533
Nalewajski RF (2005) J Math Chem 38:43
Nalewajski RF (2008) J Math Chem 44:414
Nalewajski RF (2009) J Math Chem 45:607
Nalewajski RF (2009) J Math Chem 45:709
Nalewajski RF (2009) J Math Chem 45:776
Nalewajski RF (2009) J Math Chem 45:1041
Nalewajski RF (2010) J Math Chem 47:709
Nalewajski RF (2008) J Math Chem 43:780
Nalewajski RF (2007) J Phys Chem A 111:4855
Nalewajski RF (2006) Mol Phys 104:3339
Nalewajski RF (2003) J Phys Chem A 107:3792
Nalewajski RF (2006) Mol Phys 104:255
Nalewajski RF (2004) Ann Phys (Leipzig) 13:201
Nalewajski RF (2009) Adv Quant Chem 56:217
Nalewajski RF, Szczepanik D, Mrozek J (2011) Adv Quant Chem 61:1
Nalewajski RF (2010) J Math Chem 47:692, 709, 808
Nalewajski RF (2011) 49:592
Nalewajski RF (2011) J Math Chem 49:371, 546, 806
Nalewajski RF, Gurdek P (2011) J Math Chem 49:1226
Nalewajski RF (2012) Int J Quantum Chem 112:2355
Nalewajski RF, Gurdek P (2011) Struct Chem (M. Witko issue) 23:1383
Nalewajski RF (2011) J Math Chem 49:2308
vonWeizsäcker CF (1935) Z Phys 96:431
Kohn W, Sham LJ (1965) Phys Rev 140A:1133
Hohenberg P, Kohn W (1964) Phys Rev 136B:864
Nalewajski RF, Åšwitka E (2002) Phys Chem Chem Phys 4:4952
Capitani JF, Nalewajski RF, Parr RG (1982) J Chem Phys 76:568
Cortona P (1991) Phys Rev B 44:8454
Wesołowski T, Warshel A (1993) J Phys Chem 97:8050
Wesołowski T (2004) J Am Chem Soc 126:11444
Wesołowski T (2004) Chimia 58:311
Gordon RG, Kim YS (1972) J Chem Phys 56:3122
Feinberg MJ, Ruedenberg K, Mehler EL (1970) Adv Quant Chem 5:28
Goddard WA, Wilson CW (1972) Theoret Chim Acta (Berl) 26:195, 211
Feinberg MJ, Ruedenberg K (1971) J Chem Phys 54:1495
Feinberg MJ, Ruedenberg K (1971) J Chem Phys 55:5804
Nalewajski RF (2009) Int J Quantum Chem 109:245
Dirac PAM (1958) The principles of quantum mechanics, 4th edn. Clarendon, Oxford
Wiberg KA (1968) Tetrahedron 24:1083
Nalewajski RF, Köster AM, Jug K (1993) Theoret Chim Acta (Berl) 85:463
Nalewajski RF, Mrozek J (1994) Int J Quantum Chem 51:187
Nalewajski RF, Mrozek J, Mazur G (1996) Can J Chem 100:1121
Nalewajski RF, Mrozek J, Michalak A (1997) Int J Quantum Chem 61:589
Nalewajski RF (2004) Chem Phys Lett 386:265
Gopinathan MS, Jug K (1983) Theor Chim Acta (Berl) 63:497
Nalewajski RF, Formosinho SJ, Varandas AJC, Mrozek J (1994) Int J Quantum Chem 52:1153
Mrozek J, Nalewajski RF, Michalak A (1998) Polish J Chem 72:1779
Jug K, Gopinathan MS (1990) In: Maksić ZB (ed) Theoretical models of chemical bonding, vol II. Springer, Heidelberg, p 77
Mayer I (1983) Chem Phys Lett 97:270
Nalewajski RF (2012) Int J. Quantum Chem (in press)
Esquivel RO, Flores-Gallegos N, Iuga C, Carrera E, Angulo JC, AntolÃn J (2009) Theor Chem Acc 124:445
López-Rosa S (2010) Information-theoretic measures of atomic and molecular systems, PhD Thesis, University of Granada
López-Rosa S, Esquivel RO, Angulo JC, AntolÃn J, Dehesa JS, Flores-Gallegos N (2010) J Chem Theory Comput 6:145
Luken WL, Beratan DN (1984) Theoret Chim Acta (Berl) 61:265
Luken WL, Culberson JC (1984) Theoret Chim Acta (Berl) 66:279
Putz MV (2005) Int J Quantum Chem 105:1
Shaik S, Danovich D, Wu W, Hiberty PC (2009) Nat Chem 1:443
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Nalewajski, R.F. (2012). Information Theory Insights into Molecular Electronic Structure and Reactivity. In: Putz, M., Mingos, D. (eds) Applications of Density Functional Theory to Chemical Reactivity. Structure and Bonding, vol 149. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-32753-7_2
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