114. Hernandez-Trujillo J, Matta CF (2007) Hydrogen-hydrogen bonding in biphenyl revisited.
Struct Chem 18:849–857
115. Sulway SA, Girshfeld R, Solomon SA, Muryn CA, Poater J, Sola M, Bickelhaupt FM,
Layfield RA (2009) Alkali metal complexes of silyl-substituted ansa-(tris)allyl ligands:
metal-, co-ligand- and substituent-dependent stereochemistry. Eur J Inorg Chem 4157–4167
116. Bader RFW (2009) Bond paths are not chemical bonds. J Phys Chem A 113:10391–10396
117. Bader RFW (2006) Pauli repulsions exist only in the eye of the beholder. Chem Eur J
12:2896–2901
118. Matta CF, Bader RFW (2006) An experimentalist’s reply to “What is an atom in a
molecule?”. J Phys Chem A 110:6365–6371
119. Bader RFW (2002) A comment on “some fundamental problems with zero-flux partitioning
of electron densities”. Theoret Chem Acc 107:381–382
120. Shahbazian S (2011) The mathematical soundness and the physical content of the subsystem
variational procedure of the QTAIM. Int J Quantum Chem 111:4497–4500
121. Savin A, Nesper R, Wengert S, Fässler TF (1997) ELF: The electron localization function.
Angew Chem Int Ed Engl 36:1808–1832
122. Silvi B (2003) The spin-pair compositions as local indicators of the nature of the bonding.
J Phys Chem A 107:3081–3085
123. Matito E, Silvi B, Duran M, Sola M (2006) Electron localization function at the correlated
level. J Chem Phys 125:2736
124. Feixas F, Matito E, Duran M, Sola M, Silvi B (2010) Electron localization function at the
correlated level: a natural orbital formulation. J Chem Theory Comput 6:2736–2742
125. Chevreau H, Fuster F, Silvi B (2001) Chemical bond: myth or reality? Topological methods
of bond description. Actualite Chimique 15–22
126. Savin A (2005) The electron localization function (ELF) and its relatives: interpretations and
difficulties. J Mol Struct Theochem 727:127–131
127. Kohout M, Wagner FR, Grin Y (2002) Electron localization function for transition-metal
compounds. Theoret Chem Acc 108:150–156
128. Savin A, Silvi B, Colonna F (1996) Topological analysis of the electron localization function
applied to delocalized bonds. Can J Chem-Revue Canadienne De Chimie 74:1088–1096
129. Kohout M, Savin A (1996) Atomic shell structure and electron numbers. Int J Quantum
Chem 60:875–882
130. Kohout M, Savin A (1997) Influence of core-valence separation of electron localization
function. J Comput Chem 18:1431–1439
131. Silvi B, Fourre I, Alikhani ME (2005) The topological analysis of the electron localization
function. A key for a position space representation of chemical bonds. Monatshefte Fur
Chemie 136:855–879
132. Bader RFW (1994) Principle of stationary action and the definition of a proper open system.
Phys. Rev. B 49:13348–13356
133. Thom R (1976) Structural stability and morphogenesis. W. A. Benjamin Inc., Redding
134. Thom R (1977) Catastrophe theory. Nature 270:658
135. Krokidis X, Noury S, Silvi B (1997) Characterization of elementary chemical processes by
Catastrophe theory. J Phys Chem A 101:7277–7282
136. Berski S, Andres J, Silvi B, Domingo LR (2003) The joint use of catastrophe theory and
electron localization function to characterize molecular mechanisms. A density functional
study of the Diels-Alder reaction between ethylene and 1,3-butadiene. J Phys Chem A
107:6014–6024
137. Polo V, Andrés J, Castillo R, Berski S, Silvi B (2004) Understanding the molecular
mechanism of the 1,3-dipolar cycloaddition between fulminic acid and acetylene in terms of
the electron localization function and catastrophe theory. Chem Eur J 10:5165–5172
10 Quantum Chemical Topology Approach …
291
Struct Chem 18:849–857
115. Sulway SA, Girshfeld R, Solomon SA, Muryn CA, Poater J, Sola M, Bickelhaupt FM,
Layfield RA (2009) Alkali metal complexes of silyl-substituted ansa-(tris)allyl ligands:
metal-, co-ligand- and substituent-dependent stereochemistry. Eur J Inorg Chem 4157–4167
116. Bader RFW (2009) Bond paths are not chemical bonds. J Phys Chem A 113:10391–10396
117. Bader RFW (2006) Pauli repulsions exist only in the eye of the beholder. Chem Eur J
12:2896–2901
118. Matta CF, Bader RFW (2006) An experimentalist’s reply to “What is an atom in a
molecule?”. J Phys Chem A 110:6365–6371
119. Bader RFW (2002) A comment on “some fundamental problems with zero-flux partitioning
of electron densities”. Theoret Chem Acc 107:381–382
120. Shahbazian S (2011) The mathematical soundness and the physical content of the subsystem
variational procedure of the QTAIM. Int J Quantum Chem 111:4497–4500
121. Savin A, Nesper R, Wengert S, Fässler TF (1997) ELF: The electron localization function.
Angew Chem Int Ed Engl 36:1808–1832
122. Silvi B (2003) The spin-pair compositions as local indicators of the nature of the bonding.
J Phys Chem A 107:3081–3085
123. Matito E, Silvi B, Duran M, Sola M (2006) Electron localization function at the correlated
level. J Chem Phys 125:2736
124. Feixas F, Matito E, Duran M, Sola M, Silvi B (2010) Electron localization function at the
correlated level: a natural orbital formulation. J Chem Theory Comput 6:2736–2742
125. Chevreau H, Fuster F, Silvi B (2001) Chemical bond: myth or reality? Topological methods
of bond description. Actualite Chimique 15–22
126. Savin A (2005) The electron localization function (ELF) and its relatives: interpretations and
difficulties. J Mol Struct Theochem 727:127–131
127. Kohout M, Wagner FR, Grin Y (2002) Electron localization function for transition-metal
compounds. Theoret Chem Acc 108:150–156
128. Savin A, Silvi B, Colonna F (1996) Topological analysis of the electron localization function
applied to delocalized bonds. Can J Chem-Revue Canadienne De Chimie 74:1088–1096
129. Kohout M, Savin A (1996) Atomic shell structure and electron numbers. Int J Quantum
Chem 60:875–882
130. Kohout M, Savin A (1997) Influence of core-valence separation of electron localization
function. J Comput Chem 18:1431–1439
131. Silvi B, Fourre I, Alikhani ME (2005) The topological analysis of the electron localization
function. A key for a position space representation of chemical bonds. Monatshefte Fur
Chemie 136:855–879
132. Bader RFW (1994) Principle of stationary action and the definition of a proper open system.
Phys. Rev. B 49:13348–13356
133. Thom R (1976) Structural stability and morphogenesis. W. A. Benjamin Inc., Redding
134. Thom R (1977) Catastrophe theory. Nature 270:658
135. Krokidis X, Noury S, Silvi B (1997) Characterization of elementary chemical processes by
Catastrophe theory. J Phys Chem A 101:7277–7282
136. Berski S, Andres J, Silvi B, Domingo LR (2003) The joint use of catastrophe theory and
electron localization function to characterize molecular mechanisms. A density functional
study of the Diels-Alder reaction between ethylene and 1,3-butadiene. J Phys Chem A
107:6014–6024
137. Polo V, Andrés J, Castillo R, Berski S, Silvi B (2004) Understanding the molecular
mechanism of the 1,3-dipolar cycloaddition between fulminic acid and acetylene in terms of
the electron localization function and catastrophe theory. Chem Eur J 10:5165–5172
10 Quantum Chemical Topology Approach …
291