(ed) Quantum biochemistry: electronic structure and biological activity, vol 1. Wiley-VCH,
Weinheim, pp 131–170
87. Truhlar DG, Politzer P (eds) (1981) Chemical applications of atomic and molecular
electrostatic potentials. reactivity, structure, scattering, and energetics of organic, inorganic,
and biological systems. Plenum Press, New York
88. Murray JS, Politzer P (1998) Electrostatic potentials: chemical applications. In: Schleyer PvR
(ed) Encyclopedia of computational chemistry. Wiley, Chichester, UK
89. Politzer P, Murray JS (2007) Molecular electrostatic potentials and chemical reactivity.
Reviews in computational chemistry. Wiley, Hoboken, NJ
90. Gadre SR, Kulkarni SA, Suresh CH, Shrivastava IH (1995) Basis set dependence of
molecular electrostatic potential topography: a case study of substituted benzenes. Chem
Phys Lett 239:273–281
91. Suresh CH, Gadre SR (1998) Novel electrostatic approach to substituent constants: doubly
substituted benzenes. J Am Chem Soc 120:7049–7055
92. Gadre SR (1999) Topography of atomic and molecular scalar fields. Computational
chemistry: reviews of current trends. World Scientific, Singapore, pp 1–53
93. Gadre SR, Shirsat RN (2000) Electrostatics of atoms and molecules. Universities Press,
Hyderabad
94. Roy D, Balanarayan P, Gadre SR (2008) An appraisal of Poincaré-Hopf relation and
application to topography of molecular electrostatic potentials. J Chem Phys 129:174103
95. Cook R (2015) (in preparation)
96. Babić-Samardzija K, Lupu C, Hackerman N, Barron AR, Luttge A (2005) Inhibitive
properties and surface morphology of a group of heterocyclic diazoles as inhibitors for acidic
iron corrosion. Langmuir 21:12187–12196
97. Popelier PLA (2010) Developing Quantum Topological Molecular Similarity (QTMS). In:
Matta CF (ed) Quantum biochemistry: electronic structure and biological activity.
Wiley-VCH, Weinheim, pp 669–691
98. Harding AP, Wedge DC, Popelier PLA (2009) pK a prediction from “quantum chemical
topology” descriptors. J Chem Inf Mod 49:1914–1924
99. Popelier PLA, Chaudry UA, Smith PJ (2002) Quantum topological molecular similarity. Part
5. Further development with an application to the toxicity of polychlorinated dibenzo-pdioxins (PCDDs). J Chem Soc Perkin Trans 2:1231–1237
100. O’Brien SE, Popelier PLA (2002) Quantum topological molecular similarity. Part 4. A QSAR
study of cell growth inhibitory properties of substituted (E)-1-phenylbut-1-en-3-ones. J Chem
Soc Perkin Trans 2:478–483
101. O’Brien SE, Popelier PLA (2001) Quantum molecular similarity. 3. QTMS descriptors.
J Chem Inf Comput Sci 41:764–775
102. O’Brien SE, Popelier PLA (1999) Quantum molecular similarity. Part 2: the relation between
properties in BCP space and bond length. Can J Chem 77:28–36
103. Popelier PLA (1999) Quantum molecular similarity. 1. BCP space. J Phys Chem A
103:2883–2890
104. Cook R,. Sumar I, Ayers PW, Matta CF (2016) Electron localization-delocalization matrices
(LDMs): theory and applications. Springer
88
C.F. Matta et al.
Weinheim, pp 131–170
87. Truhlar DG, Politzer P (eds) (1981) Chemical applications of atomic and molecular
electrostatic potentials. reactivity, structure, scattering, and energetics of organic, inorganic,
and biological systems. Plenum Press, New York
88. Murray JS, Politzer P (1998) Electrostatic potentials: chemical applications. In: Schleyer PvR
(ed) Encyclopedia of computational chemistry. Wiley, Chichester, UK
89. Politzer P, Murray JS (2007) Molecular electrostatic potentials and chemical reactivity.
Reviews in computational chemistry. Wiley, Hoboken, NJ
90. Gadre SR, Kulkarni SA, Suresh CH, Shrivastava IH (1995) Basis set dependence of
molecular electrostatic potential topography: a case study of substituted benzenes. Chem
Phys Lett 239:273–281
91. Suresh CH, Gadre SR (1998) Novel electrostatic approach to substituent constants: doubly
substituted benzenes. J Am Chem Soc 120:7049–7055
92. Gadre SR (1999) Topography of atomic and molecular scalar fields. Computational
chemistry: reviews of current trends. World Scientific, Singapore, pp 1–53
93. Gadre SR, Shirsat RN (2000) Electrostatics of atoms and molecules. Universities Press,
Hyderabad
94. Roy D, Balanarayan P, Gadre SR (2008) An appraisal of Poincaré-Hopf relation and
application to topography of molecular electrostatic potentials. J Chem Phys 129:174103
95. Cook R (2015) (in preparation)
96. Babić-Samardzija K, Lupu C, Hackerman N, Barron AR, Luttge A (2005) Inhibitive
properties and surface morphology of a group of heterocyclic diazoles as inhibitors for acidic
iron corrosion. Langmuir 21:12187–12196
97. Popelier PLA (2010) Developing Quantum Topological Molecular Similarity (QTMS). In:
Matta CF (ed) Quantum biochemistry: electronic structure and biological activity.
Wiley-VCH, Weinheim, pp 669–691
98. Harding AP, Wedge DC, Popelier PLA (2009) pK a prediction from “quantum chemical
topology” descriptors. J Chem Inf Mod 49:1914–1924
99. Popelier PLA, Chaudry UA, Smith PJ (2002) Quantum topological molecular similarity. Part
5. Further development with an application to the toxicity of polychlorinated dibenzo-pdioxins (PCDDs). J Chem Soc Perkin Trans 2:1231–1237
100. O’Brien SE, Popelier PLA (2002) Quantum topological molecular similarity. Part 4. A QSAR
study of cell growth inhibitory properties of substituted (E)-1-phenylbut-1-en-3-ones. J Chem
Soc Perkin Trans 2:478–483
101. O’Brien SE, Popelier PLA (2001) Quantum molecular similarity. 3. QTMS descriptors.
J Chem Inf Comput Sci 41:764–775
102. O’Brien SE, Popelier PLA (1999) Quantum molecular similarity. Part 2: the relation between
properties in BCP space and bond length. Can J Chem 77:28–36
103. Popelier PLA (1999) Quantum molecular similarity. 1. BCP space. J Phys Chem A
103:2883–2890
104. Cook R,. Sumar I, Ayers PW, Matta CF (2016) Electron localization-delocalization matrices
(LDMs): theory and applications. Springer
88
C.F. Matta et al.