64. Howard ST, Krygowski TM (1997) Benzenoid hydrocarbon aromaticity in terms of charge
density descriptors. Can J Chem 75:1174–1181
65. Suresh CH, Gadre SR (1999) Clar’s aromatic sextet theory revisited via molecular
electrostatic potential topography. J Org Chem 64:2505–2512
66. Cyranski MK, Stepien BT, Krygowski TM (2000) Global and local aromaticities of linear
and angular polyacenes. Tetrahedron 56:9663–9667
67. Palusiak M, Krygowski TM (2007) Application of AIM parameters at ring critical points for
estimation of π-electron delocalization in six-membered aromatic and quasi-aromatic rings.
Chem Eur J 13:7996–8006
68. Mandado M, Gonzalez Moa MJ, Mosquera RA (2008) Aromaticity: exploring basic
chemical concepts with the quantum theory of atoms in molecules. Nova Science Publishers,
Inc., New York
69. Ebrahimi AA, Ghiasi R, Foroutan-Nejad C (2010) Topological characteristics of the ring
critical points and the aromaticity of groups IIIA to VIA hetero-benzenes. J Mol Struct
(THEOCHEM) 941:47–52
70. Nigam S, Majumder C (2011) Aromaticity: from benzene to atomic clusters. In: Aromaticity
and metal clusters. Chattaraj PK (Ed.), CRC Press, New York
71. Krygowski TM, Ciesielski A, Bird CW, Kotschy A (1995) Aromatic character of the benzene
ring present in various topological environments in benzenoid hydrocarbons.
Nonequivalence of indices of aromaticity. J Chem Inf Comput Sci 35:203–210
72. Sumar I, Cook R, Ayers PW, Matta CF (2016) Aromaticity of rings-in-molecules (RIMs)
from electron localization-delocalization matrices (LDMs). Phys Scripta 91:013001 (pp 13)
73. Cook R, Sumar I, Ayers PW, Matta CF (2015) Aromaticity of rings-in-molecules (RIMs)
from electron localization-delocalization matrices (LDMs) from self-organized maps. In
preparation
74. Mager PP (1984) Multidimensional pharmacochemistry: design of safer drugs. Academic
Press Inc, London
75. Kier LB, Hall LH, Frazer JW (1991) An index of electrotopological state for atoms in
molecules. J Math Chem 7:229–241
76. Attwood TK, Parry-Smith DJ (1999) Introduction to bioinformatics. Prentice Hall, London
77. Doucet J-P, Weber J (1996) Computer-aided molecular design: theory and applications.
Academic Press, ltd, London
78. Carbó R, Leyda L, Arnau M (1980) How similar is a molecule to another? an electron density
measure of similarity between two molecular structures. Int J Quantum Chem 17:1185–1189
79. Carbó-Dorca R, Mezey PGE (1996) Advances in molecular similarity, vol 1. Jai Press Inc,
London
80. Carbó-Dorca R, Mezey PGE (1998) Advances in molecular similarity, vol 2. Jai Press Inc,
London
81. Carbó-Dorca R, Robert D, Amat L, Gironés X, Besalú E (2000) Molecular quantum
similarity in QSAR and drug design. Springer, Berlin
82. Bonaccorsi R, Scrocco E, Tomasi J (1970) Molecular SCF calculations for the ground state
of some three-membered ring molecules: (CH 2 ) 3 , (CH 2 ) 2 NH, (CH 2 ) 2 NH 2
+ , (CH 2 ) 2 O,
(CH 2 ) 2 S, (CH) 2 CH 2 , and N 2 CH 2 . J Chem Phys 52:5270–5284
83. Petrongolo C, Tomasi J (1975) The use of electrostatic molecular potential in quantum
pharmacology. 1. Ab initio results. Int J Quantum Chem Quantum Biol Symp 2:181–190
84. Bonaccorsi R, Scrocco E, Tomasi J (1976) Group contributions to electrostatic molecular
potential. J Am Chem Soc 98:4049–4054
85. Tomasi J (1981) Use of the electrostatic potential as a guide to understanding molecular
properties. In: Truhlar DG, Politzer P (eds) Chemical applications of atomic and molecular
electrostatic potentials. reactivity, structure, scattering, and energetics of organic, inorganic,
and biological systems. Plenum Press, New York
86. Tomasi J, Cappelli C, Mennucci B, Cammi R (2010) From molecular electrostatic potentials
to solvations models and ending with biomolecular photophysical processes. In: Matta CF
3 Localization-Delocalization Matrices and Electron Density …
87
density descriptors. Can J Chem 75:1174–1181
65. Suresh CH, Gadre SR (1999) Clar’s aromatic sextet theory revisited via molecular
electrostatic potential topography. J Org Chem 64:2505–2512
66. Cyranski MK, Stepien BT, Krygowski TM (2000) Global and local aromaticities of linear
and angular polyacenes. Tetrahedron 56:9663–9667
67. Palusiak M, Krygowski TM (2007) Application of AIM parameters at ring critical points for
estimation of π-electron delocalization in six-membered aromatic and quasi-aromatic rings.
Chem Eur J 13:7996–8006
68. Mandado M, Gonzalez Moa MJ, Mosquera RA (2008) Aromaticity: exploring basic
chemical concepts with the quantum theory of atoms in molecules. Nova Science Publishers,
Inc., New York
69. Ebrahimi AA, Ghiasi R, Foroutan-Nejad C (2010) Topological characteristics of the ring
critical points and the aromaticity of groups IIIA to VIA hetero-benzenes. J Mol Struct
(THEOCHEM) 941:47–52
70. Nigam S, Majumder C (2011) Aromaticity: from benzene to atomic clusters. In: Aromaticity
and metal clusters. Chattaraj PK (Ed.), CRC Press, New York
71. Krygowski TM, Ciesielski A, Bird CW, Kotschy A (1995) Aromatic character of the benzene
ring present in various topological environments in benzenoid hydrocarbons.
Nonequivalence of indices of aromaticity. J Chem Inf Comput Sci 35:203–210
72. Sumar I, Cook R, Ayers PW, Matta CF (2016) Aromaticity of rings-in-molecules (RIMs)
from electron localization-delocalization matrices (LDMs). Phys Scripta 91:013001 (pp 13)
73. Cook R, Sumar I, Ayers PW, Matta CF (2015) Aromaticity of rings-in-molecules (RIMs)
from electron localization-delocalization matrices (LDMs) from self-organized maps. In
preparation
74. Mager PP (1984) Multidimensional pharmacochemistry: design of safer drugs. Academic
Press Inc, London
75. Kier LB, Hall LH, Frazer JW (1991) An index of electrotopological state for atoms in
molecules. J Math Chem 7:229–241
76. Attwood TK, Parry-Smith DJ (1999) Introduction to bioinformatics. Prentice Hall, London
77. Doucet J-P, Weber J (1996) Computer-aided molecular design: theory and applications.
Academic Press, ltd, London
78. Carbó R, Leyda L, Arnau M (1980) How similar is a molecule to another? an electron density
measure of similarity between two molecular structures. Int J Quantum Chem 17:1185–1189
79. Carbó-Dorca R, Mezey PGE (1996) Advances in molecular similarity, vol 1. Jai Press Inc,
London
80. Carbó-Dorca R, Mezey PGE (1998) Advances in molecular similarity, vol 2. Jai Press Inc,
London
81. Carbó-Dorca R, Robert D, Amat L, Gironés X, Besalú E (2000) Molecular quantum
similarity in QSAR and drug design. Springer, Berlin
82. Bonaccorsi R, Scrocco E, Tomasi J (1970) Molecular SCF calculations for the ground state
of some three-membered ring molecules: (CH 2 ) 3 , (CH 2 ) 2 NH, (CH 2 ) 2 NH 2
+ , (CH 2 ) 2 O,
(CH 2 ) 2 S, (CH) 2 CH 2 , and N 2 CH 2 . J Chem Phys 52:5270–5284
83. Petrongolo C, Tomasi J (1975) The use of electrostatic molecular potential in quantum
pharmacology. 1. Ab initio results. Int J Quantum Chem Quantum Biol Symp 2:181–190
84. Bonaccorsi R, Scrocco E, Tomasi J (1976) Group contributions to electrostatic molecular
potential. J Am Chem Soc 98:4049–4054
85. Tomasi J (1981) Use of the electrostatic potential as a guide to understanding molecular
properties. In: Truhlar DG, Politzer P (eds) Chemical applications of atomic and molecular
electrostatic potentials. reactivity, structure, scattering, and energetics of organic, inorganic,
and biological systems. Plenum Press, New York
86. Tomasi J, Cappelli C, Mennucci B, Cammi R (2010) From molecular electrostatic potentials
to solvations models and ending with biomolecular photophysical processes. In: Matta CF
3 Localization-Delocalization Matrices and Electron Density …
87