Keith TA, Kobayashi R, Normand J, Raghavachari K, Rendell A, Burant JC, Iyengar SS,
Tomasi J, Cossi M, Rega N, Millam JM, Klene M, Knox JE, Cross JB, Bakken V, Adamo C,
Jaramillo J, Gomperts R, Stratmann RE, Yazyev O, Austin AJ, Cammi R, Pomelli C,
Ochterski JW, Martin RL, Morokuma K, Zakrzewski VG, Voth GA, Salvador P,
Dannenberg JJ, Dapprich S, Daniels AD, Farkas, Foresman JB, Ortiz JV, Cioslowski J,
Fox DJ (2009). Gaussian 09, revision D.01. Wallingford
104. Keith TA (2014) AIMAll software, version 14.04.17 professional, http://aim.tkgristmill.com
105. Tognetti V, Joubert L (2011) On the influence of density functional approximations on some
local Bader’s atoms-in-molecules properties. J Phys Chem A 115:5505–5515
106. Johnson ER, Kelnan S, Mori-Sánchez P, Contreras-García J, Cohen AJ, Yang W (2010)
Revealing noncovalent interactions. J Am Chem Soc 132:6498–6506
107. Cormanich RA, RIttner R, O’Hagan D, Bühl M (2014) Analysis of CF···FC interactions on
cyclohexane and naphthalene frameworks. J Phys Chem A 118:7901–7910
108. Jaharomi HJ, Eskanderi K (2013) Halogen bonding: a theoretical study based on atomic
multipoles derived from quantum theory of atoms in molecules. Struct Chem 24:1281–1287
109. Metrangolo P, Murray JS, Pilati T, Politzer P, Resnati G, Terraneao T (2011) The fluorine
atom as a halogen bond donor, viz. a positive site. Cryst Eng Comm 13:6593–6596
110. Metrangolo P, Murray JS, Pilati T, Politzer P, Resnati G, Terraneao G (2011)
Fluorine-centered halogen bonding: a factor in recognition phenomena and reactivity.
Cryst Growth Des 11:4238–4246
111. Guégan F, Mignon P, Tognetti V, Joubert L, Morell C (2014) Dual descriptor and molecular
electrostatic potential: complementary tools for the study of the coordination chemistry of
ambiphilic ligands. Phys Chem Chem Phys 16:15558–15569
112. Tognetti V, Morell C, Ayers PW, Joubert L, Chermette H (2013) A proposal for an extended
dual descriptor: a possible solution when frontier molecular orbital theory fails. Phys Chem
Chem Phys 15:14465–14475
16 Following Halogen Bonds Formation …
459
Tomasi J, Cossi M, Rega N, Millam JM, Klene M, Knox JE, Cross JB, Bakken V, Adamo C,
Jaramillo J, Gomperts R, Stratmann RE, Yazyev O, Austin AJ, Cammi R, Pomelli C,
Ochterski JW, Martin RL, Morokuma K, Zakrzewski VG, Voth GA, Salvador P,
Dannenberg JJ, Dapprich S, Daniels AD, Farkas, Foresman JB, Ortiz JV, Cioslowski J,
Fox DJ (2009). Gaussian 09, revision D.01. Wallingford
104. Keith TA (2014) AIMAll software, version 14.04.17 professional, http://aim.tkgristmill.com
105. Tognetti V, Joubert L (2011) On the influence of density functional approximations on some
local Bader’s atoms-in-molecules properties. J Phys Chem A 115:5505–5515
106. Johnson ER, Kelnan S, Mori-Sánchez P, Contreras-García J, Cohen AJ, Yang W (2010)
Revealing noncovalent interactions. J Am Chem Soc 132:6498–6506
107. Cormanich RA, RIttner R, O’Hagan D, Bühl M (2014) Analysis of CF···FC interactions on
cyclohexane and naphthalene frameworks. J Phys Chem A 118:7901–7910
108. Jaharomi HJ, Eskanderi K (2013) Halogen bonding: a theoretical study based on atomic
multipoles derived from quantum theory of atoms in molecules. Struct Chem 24:1281–1287
109. Metrangolo P, Murray JS, Pilati T, Politzer P, Resnati G, Terraneao T (2011) The fluorine
atom as a halogen bond donor, viz. a positive site. Cryst Eng Comm 13:6593–6596
110. Metrangolo P, Murray JS, Pilati T, Politzer P, Resnati G, Terraneao G (2011)
Fluorine-centered halogen bonding: a factor in recognition phenomena and reactivity.
Cryst Growth Des 11:4238–4246
111. Guégan F, Mignon P, Tognetti V, Joubert L, Morell C (2014) Dual descriptor and molecular
electrostatic potential: complementary tools for the study of the coordination chemistry of
ambiphilic ligands. Phys Chem Chem Phys 16:15558–15569
112. Tognetti V, Morell C, Ayers PW, Joubert L, Chermette H (2013) A proposal for an extended
dual descriptor: a possible solution when frontier molecular orbital theory fails. Phys Chem
Chem Phys 15:14465–14475
16 Following Halogen Bonds Formation …
459