Contents
1 Topological Approaches of the Bonding in Conceptual
Chemistry . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
1
Bernard Silvi, M. Esmail Alikhani, Christine Lepetit
and Remi Chauvin
Part I Topological Methods: Definition, State of the Art
and Prospects
2 On Quantum Chemical Topology . . . . . . . . . . . . . . . . . . . . . . . . . 23
Paul L.A. Popelier
3 Localization-Delocalization Matrices and Electron
Density-Weighted Adjacency/Connectivity Matrices:
A Bridge Between the Quantum Theory of Atoms
in Molecules and Chemical Graph Theory . . . . . . . . . . . . . . . . . . 53
Chérif F. Matta, Ismat Sumar, Ronald Cook and Paul W. Ayers
4 Extending the Topological Analysis and Seeking the Real-Space
Subsystems in Non-Coulombic Systems with Homogeneous
Potential Energy Functions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89
Shant Shahbazian
5 Exploring Chemistry Through the Source Function
for the Electron and the Electron Spin Densities . . . . . . . . . . . . . . 101
Carlo Gatti, Ahmed M. Orlando, Emanuele Monza
and Leonardo Lo Presti
6 Emergent Scalar and Vector Fields in Quantum Chemical
Topology . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 131
A. Martín Pendás, E. Francisco, A. Gallo Bueno,
J.M. Guevara Vela and A. Costales
vii