60. Bartashevich EV, Yushina ID, Stash AI, Tsirelson VG (2014) Halogen bonding and other
iodine interactions in crystals of dihydrothiazolo(oxazino)quinolinium oligoiodides from the
electron-density viewpoint. Cryst Growth Des 14:5674–5684
61. Tognetti V, Joubert L (2013) On the physical role of exchange in the formation of an
intramolecular bond path between two electronegative atoms. J Chem Phys 138:024102
62. Tognetti V, Joubert L (2013) On critical points and exchange-related properties of
intramolecular bonds between two electronegative atoms. Chem Phys Lett 579:122–125
63. Syzgantseva OA, Tognetti V, Joubert L (2013) On the physical nature of Halogen bonds: a
QTAIM study. J Phys Chem A 117:8969–8980
64. Tognetti V, Joubert L (2014) Density functional theory and Bader’s atoms-in-molecules
theory: towards a vivid dialogue. Phys Chem Chem Phys 16:14539–14550
65. Tognetti V, Yahia-Ouahmed M, Joubert L (2014) Comment on “analysis of CF···FC
interactions on cyclohexane and naphthalene frameworks”. J Phys Chem A 118:9791–9792
66. Yahia-Ouahmed M, Tognetti V, Joubert L (2015) Halogen–halogen interactions in
perhalogenated ethanes: an interacting quantum atoms study. Comput Theor Chem
1053:254–262
67. Tognetti V, Morell C, Joubert L (2015) Quantifying electro/nucleophilicity by partitioning
the dual descriptor. J Comput Chem 36:649–659
68. Tognetti V, Joubert L (2015) Electron density Laplacian and halogen bonds. Theor Chem
Acc 134:90
69. Bader RFW (1990) Atoms in molecules: a quantum theory. the international series of
monographs on chemistry: no. 22, Oxford University Press, New York
70. Popelier PLA (2000) Atoms in molecules: an introduction. Pearson Education, Harlow
71. Pendás AM, Blanco MA, Francisco E (2004) Two-electron integrations in the quantum
theory of atoms in molecules. J Chem Phys 120:4581–4592
72. Blanco MA, Pendás AM, Francisco E (2005) Interacting quantum atoms: a correlated energy
decomposition scheme based on the quantum theory of atoms in molecules. J Chem Theory
Comput 1:1096–1109
73. Pendás AM, Blanco MA, Francisco E (2006) Molecular energy decomposition scheme for
atoms in molecules. J Chem Theory Comput 2:90–102
74. Popelier PLA, Joubert L, Kosov DS (2001) Convergence of the electrostatic interaction
based on topological atoms. J Phys Chem A 105:8254–8261
75. Popelier PLA, Kosov DS (2001) Atom–atom partitioning of intramolecular and
intermolecular Coulomb energy. J Chem Phys 114:6539–6547
76. Solano CJF, Pendás AM, Francisco E, Blanco MA, Popelier PLA (2010) Convergence of the
multipole expansion for 1,2 Coulomb interactions: the modified multipole shifting algorithm.
J Chem Phys 132:194110
77. Popelier PLA (2012) Quantum chemical topology: knowledgeable atoms in peptides. AIP
Conf Proc 1456:261–268
78. Bader RFW, Matta CF (2004) Atomic charges are measurable quantum expectation values: a
rebuttal of criticisms of QTAIM charges. J Phys Chem A 108:8385–8394
79. Tognetti V, Joubert L (2013) On the use of Bader’s atomic charges for the evaluation of
charge transfers between ground and excited states. Chem Phys Lett 557:150–153
80. Syzgantseva OA, Tognetti V, Boulangé A, Peixoto PA, Leleu S, Franck X, Joubert L (2014)
Evaluating charge transfer in epicocconone analogues: toward a targeted design of
fluorophores. J Phys Chem A 118(2014):757–764
81. Pendás AM, Blanco MA, Francisco E (2006) The nature of the hydrogen bond: a synthesis
from the interacting quantum atoms picture. J Chem Phys 125:184112
82. Pendás AM, Francisco E, Blanco MA (2006) Binding energies of first row diatomics in the
light of the interacting quantum atoms approach. J Phys Chem A 110:12864–12869
83. Tiana D, Francisco E, Blanco MA, Pendás AM (2009) Using pseudopotentials within the
interacting quantum atoms approach. J Phys Chem A 113:7963–7971
16 Following Halogen Bonds Formation …
457
iodine interactions in crystals of dihydrothiazolo(oxazino)quinolinium oligoiodides from the
electron-density viewpoint. Cryst Growth Des 14:5674–5684
61. Tognetti V, Joubert L (2013) On the physical role of exchange in the formation of an
intramolecular bond path between two electronegative atoms. J Chem Phys 138:024102
62. Tognetti V, Joubert L (2013) On critical points and exchange-related properties of
intramolecular bonds between two electronegative atoms. Chem Phys Lett 579:122–125
63. Syzgantseva OA, Tognetti V, Joubert L (2013) On the physical nature of Halogen bonds: a
QTAIM study. J Phys Chem A 117:8969–8980
64. Tognetti V, Joubert L (2014) Density functional theory and Bader’s atoms-in-molecules
theory: towards a vivid dialogue. Phys Chem Chem Phys 16:14539–14550
65. Tognetti V, Yahia-Ouahmed M, Joubert L (2014) Comment on “analysis of CF···FC
interactions on cyclohexane and naphthalene frameworks”. J Phys Chem A 118:9791–9792
66. Yahia-Ouahmed M, Tognetti V, Joubert L (2015) Halogen–halogen interactions in
perhalogenated ethanes: an interacting quantum atoms study. Comput Theor Chem
1053:254–262
67. Tognetti V, Morell C, Joubert L (2015) Quantifying electro/nucleophilicity by partitioning
the dual descriptor. J Comput Chem 36:649–659
68. Tognetti V, Joubert L (2015) Electron density Laplacian and halogen bonds. Theor Chem
Acc 134:90
69. Bader RFW (1990) Atoms in molecules: a quantum theory. the international series of
monographs on chemistry: no. 22, Oxford University Press, New York
70. Popelier PLA (2000) Atoms in molecules: an introduction. Pearson Education, Harlow
71. Pendás AM, Blanco MA, Francisco E (2004) Two-electron integrations in the quantum
theory of atoms in molecules. J Chem Phys 120:4581–4592
72. Blanco MA, Pendás AM, Francisco E (2005) Interacting quantum atoms: a correlated energy
decomposition scheme based on the quantum theory of atoms in molecules. J Chem Theory
Comput 1:1096–1109
73. Pendás AM, Blanco MA, Francisco E (2006) Molecular energy decomposition scheme for
atoms in molecules. J Chem Theory Comput 2:90–102
74. Popelier PLA, Joubert L, Kosov DS (2001) Convergence of the electrostatic interaction
based on topological atoms. J Phys Chem A 105:8254–8261
75. Popelier PLA, Kosov DS (2001) Atom–atom partitioning of intramolecular and
intermolecular Coulomb energy. J Chem Phys 114:6539–6547
76. Solano CJF, Pendás AM, Francisco E, Blanco MA, Popelier PLA (2010) Convergence of the
multipole expansion for 1,2 Coulomb interactions: the modified multipole shifting algorithm.
J Chem Phys 132:194110
77. Popelier PLA (2012) Quantum chemical topology: knowledgeable atoms in peptides. AIP
Conf Proc 1456:261–268
78. Bader RFW, Matta CF (2004) Atomic charges are measurable quantum expectation values: a
rebuttal of criticisms of QTAIM charges. J Phys Chem A 108:8385–8394
79. Tognetti V, Joubert L (2013) On the use of Bader’s atomic charges for the evaluation of
charge transfers between ground and excited states. Chem Phys Lett 557:150–153
80. Syzgantseva OA, Tognetti V, Boulangé A, Peixoto PA, Leleu S, Franck X, Joubert L (2014)
Evaluating charge transfer in epicocconone analogues: toward a targeted design of
fluorophores. J Phys Chem A 118(2014):757–764
81. Pendás AM, Blanco MA, Francisco E (2006) The nature of the hydrogen bond: a synthesis
from the interacting quantum atoms picture. J Chem Phys 125:184112
82. Pendás AM, Francisco E, Blanco MA (2006) Binding energies of first row diatomics in the
light of the interacting quantum atoms approach. J Phys Chem A 110:12864–12869
83. Tiana D, Francisco E, Blanco MA, Pendás AM (2009) Using pseudopotentials within the
interacting quantum atoms approach. J Phys Chem A 113:7963–7971
16 Following Halogen Bonds Formation …
457