10. Jacobsen H (2013) Topology maps of bond descriptors based on the kinetic energy density
and the essence of chemical bonding. Phys Chem Chem Phys 15:5057–5066
11. Schleyer PvR (2005) Introduction: delocalization pi and sigma. Chem Rev 105:3433–3435
12. Popelier PLA (2007) Preface. Faraday Discuss 135:1–3
13. Alabugin IV, Gilmore KM, Peterson PW (2011) Hyperconjugation. Wiley interdisciplinary
reviews: computational molecular science 1:109–141
14. Gonthier JF, Steinmann SN, Wodrich MD, Corminboeuf C (2012) Quantification of “fuzzy”
chemical concepts: a computational perspective. Chem Soc Rev 41:4671–4687
15. Whitaker A (1996) Einstein, bohr and the quantum dilemma. Cambridge University Press,
Cambridge
16. Alvarez S, Hoffmann R, Mealli C (2009) A bonding quandary—or—a demonstration of the
fact that scientists are not born with logic. Chem Eur J 15:8358–8373
17. Danovich D, Hiberty PC, Wu W, Rzepa HS, Shaik S (2014) The nature of the fourth bond in
the ground state of C-2: the quadruple bond conundrum. Chem Eur J 20:6214–6220
18. Ayers PL, Boyd RJ et al (2015) Six questions on topology in theoretical chemistry. Comput
Theor Chem 1053:2–16
19. Lewis GN (1916) The atom and the molecule. J Am Chem Soc 38:762–786
20. Fukui K, Yonezawa T, Shingu H (1952) A molecular orbital theory of reactivity in aromatic
hydrocarbons. J Chem Phys 20:722–725
21. Woodward RB, Hoffmann R (1969) The conservation of orbital symmetry. Angew Chem Int
Ed Engl 8:781–932
22. Parr RG, Donnelly RA, Levy M, Palke WE (1978) Electronegativity: the density functional
viewpoint. J Chem Phys 68:3801
23. Bader RFW (1991) A quantum theory of molecular structure and its applications. Chem Rev
91:893–928
24. Bader RFW (1990) Atoms in molecules: a quantum theory. In: International series of
monographs on chemistry, vol 22. Oxford Science Publications, Oxford
25. Matta CF, Boyd RJ (2007) In the quantum theory of atoms in molecules. Wiley-VCH, New
York, pp 1–34
26. Becke AD, Edgecombe KEJ (1990) A simple measure of electron localization in atomic and
molecular systems. J Chem Phys 92:5397–5403
27. Silvi B, Savin A (1994) Classification of chemical bonds based on topological analysis of
electron localization functions. Nature 371:683–686
28. Honig B, Nicholls A (1995) Classical electrostatics in biology and chemistry. Science
268:1144–1149
29. Fenniri H, Packiarajan M, Vidale KL, Sherman DM, Hallenga K, Wood KV, Stowell JG
(2001) Helical rosette nanotubes: design, self-assembly, and characterization. J Am Chem
Soc 123:3854–3855
30. Kruse P, Johnson ER, DiLabio GA, Wolkow RA (2002) Patterning of vinylferrocene on H-Si
(100) via self-directed growth of molecular lines and STM-induced decomposition. Nano
Lett 2:807–810
31. Sheiko SS, Sun FC, Randall A, Shirvanyants D, Rubinstein M, Lee H, Matyjaszewski K
(2006) Adsorption-induced scission of carbon-carbon bonds. Nature 440:191–194
32. DiLabio GA, Piva PG, Kruse P, Wolkow RA (2004) Dispersion interactions enable the
self-directed growth of linear alkane nanostructures covalently bound to silicon. J Am Chem
Soc 126:16048–16050
33. Kollman PA (1977) Noncovalent interactions. Chem Rev 10:365–371
34. Cerniý J, Hobza P (2007) Non-covalent interactions in biomacromolecules. Phys Chem
Chem Phys 9:5291–5303
35. Lehninger AL, Nelson DL, Cox MM (1993) Principles of biochemistry, 2nd edn. Worth
Publishers, Inc
36. Krishnamoorthy N, Yacoub MH, Yaliraki SN (2011) A computational modeling approach
for enhancing self-assembly and biofunctionalisation of collagen biomimetic peptides.
Biomaterials 32:7275–7285
524
C. Narth et al.
and the essence of chemical bonding. Phys Chem Chem Phys 15:5057–5066
11. Schleyer PvR (2005) Introduction: delocalization pi and sigma. Chem Rev 105:3433–3435
12. Popelier PLA (2007) Preface. Faraday Discuss 135:1–3
13. Alabugin IV, Gilmore KM, Peterson PW (2011) Hyperconjugation. Wiley interdisciplinary
reviews: computational molecular science 1:109–141
14. Gonthier JF, Steinmann SN, Wodrich MD, Corminboeuf C (2012) Quantification of “fuzzy”
chemical concepts: a computational perspective. Chem Soc Rev 41:4671–4687
15. Whitaker A (1996) Einstein, bohr and the quantum dilemma. Cambridge University Press,
Cambridge
16. Alvarez S, Hoffmann R, Mealli C (2009) A bonding quandary—or—a demonstration of the
fact that scientists are not born with logic. Chem Eur J 15:8358–8373
17. Danovich D, Hiberty PC, Wu W, Rzepa HS, Shaik S (2014) The nature of the fourth bond in
the ground state of C-2: the quadruple bond conundrum. Chem Eur J 20:6214–6220
18. Ayers PL, Boyd RJ et al (2015) Six questions on topology in theoretical chemistry. Comput
Theor Chem 1053:2–16
19. Lewis GN (1916) The atom and the molecule. J Am Chem Soc 38:762–786
20. Fukui K, Yonezawa T, Shingu H (1952) A molecular orbital theory of reactivity in aromatic
hydrocarbons. J Chem Phys 20:722–725
21. Woodward RB, Hoffmann R (1969) The conservation of orbital symmetry. Angew Chem Int
Ed Engl 8:781–932
22. Parr RG, Donnelly RA, Levy M, Palke WE (1978) Electronegativity: the density functional
viewpoint. J Chem Phys 68:3801
23. Bader RFW (1991) A quantum theory of molecular structure and its applications. Chem Rev
91:893–928
24. Bader RFW (1990) Atoms in molecules: a quantum theory. In: International series of
monographs on chemistry, vol 22. Oxford Science Publications, Oxford
25. Matta CF, Boyd RJ (2007) In the quantum theory of atoms in molecules. Wiley-VCH, New
York, pp 1–34
26. Becke AD, Edgecombe KEJ (1990) A simple measure of electron localization in atomic and
molecular systems. J Chem Phys 92:5397–5403
27. Silvi B, Savin A (1994) Classification of chemical bonds based on topological analysis of
electron localization functions. Nature 371:683–686
28. Honig B, Nicholls A (1995) Classical electrostatics in biology and chemistry. Science
268:1144–1149
29. Fenniri H, Packiarajan M, Vidale KL, Sherman DM, Hallenga K, Wood KV, Stowell JG
(2001) Helical rosette nanotubes: design, self-assembly, and characterization. J Am Chem
Soc 123:3854–3855
30. Kruse P, Johnson ER, DiLabio GA, Wolkow RA (2002) Patterning of vinylferrocene on H-Si
(100) via self-directed growth of molecular lines and STM-induced decomposition. Nano
Lett 2:807–810
31. Sheiko SS, Sun FC, Randall A, Shirvanyants D, Rubinstein M, Lee H, Matyjaszewski K
(2006) Adsorption-induced scission of carbon-carbon bonds. Nature 440:191–194
32. DiLabio GA, Piva PG, Kruse P, Wolkow RA (2004) Dispersion interactions enable the
self-directed growth of linear alkane nanostructures covalently bound to silicon. J Am Chem
Soc 126:16048–16050
33. Kollman PA (1977) Noncovalent interactions. Chem Rev 10:365–371
34. Cerniý J, Hobza P (2007) Non-covalent interactions in biomacromolecules. Phys Chem
Chem Phys 9:5291–5303
35. Lehninger AL, Nelson DL, Cox MM (1993) Principles of biochemistry, 2nd edn. Worth
Publishers, Inc
36. Krishnamoorthy N, Yacoub MH, Yaliraki SN (2011) A computational modeling approach
for enhancing self-assembly and biofunctionalisation of collagen biomimetic peptides.
Biomaterials 32:7275–7285
524
C. Narth et al.