J. P. Perdew, K. Burke, and M. Ernzerhof, Generalized Gradient Approximation Made Simple, Physical Review Letters, vol.80, issue.18, p.3865, 1996.
DOI : 10.1063/1.446965

J. M. Del-campo, J. L. Gázquez, R. J. Alvarez-mendez, and A. Vela, The reduced density gradient in atoms, International Journal of Quantum Chemistry, vol.106, issue.22, p.3594, 2012.
DOI : 10.1103/PhysRevLett.106.186406

A. Zupan, J. P. Perdew, K. Burke, and M. Causa, Density-gradient analysis for density functional theory: Application to atoms, International Journal of Quantum Chemistry, vol.21, issue.5, p.835, 1997.
DOI : 10.1002/(SICI)1097-461X(1997)61:5<835::AID-QUA9>3.0.CO;2-X

H. Schmider, R. P. Sagar, V. H. Smith, and . Jr, An investigation of atomic structure in position and momentum space by means of "ideal shells", Canadian Journal of Chemistry, vol.70, issue.2, p.506, 1992.
DOI : 10.1139/v92-072

M. Kohout, A. Savin, and H. Preuss, Contribution to the electron distribution analysis. I. Shell structure of atoms, The Journal of Chemical Physics, vol.95, issue.3, p.1928, 1991.
DOI : 10.1080/00268978800101811

M. Kohout, F. Wagner, and Y. Grin, Theoretical Chemistry Accounts: Theory, Computation, and Modeling, Theoretica Chimica Acta), vol.119, issue.5, p.413, 2008.

E. R. Johnson, S. Keinan, P. Mori-sanchez, J. Contreras-garcia, A. J. Cohen et al., Revealing Noncovalent Interactions, Journal of the American Chemical Society, vol.132, issue.18, p.6498, 2010.
DOI : 10.1021/ja100936w

URL : https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2864795/pdf

H. J. Bohórquez and R. J. Boyd, A localized electrons detector for atomic and molecular systems, Theoretical Chemistry Accounts, vol.110, issue.4, p.393, 2010.
DOI : 10.1007/s00214-010-0727-5

P. Silva and C. Corminboeuf, Simultaneous Visualization of Covalent and Noncovalent Interactions Using Regions of Density Overlap, Journal of Chemical Theory and Computation, vol.10, issue.9, p.3745, 2014.
DOI : 10.1021/ct500490b

A. Cedillo, J. Robles, and J. L. Gázquez, New nonlocal exchange-energy functional from a kinetic-energy-density Pad??-approximant model, Physical Review A, vol.14, issue.4, p.1697, 1988.
DOI : 10.1016/S0092-640X(74)80016-1

Y. Tal and R. Bader, Studies of the energy density functional approach. I. Kinetic energy, International Journal of Quantum Chemistry, vol.30, issue.S12, p.153, 1978.
DOI : 10.1080/00018735700101156

R. F. Bader, Atoms in molecules, 1990.

A. M. Pendás, E. Francisco, M. A. Blanco, and C. Gatti, Bond Paths as Privileged Exchange Channels, Chemistry - A European Journal, vol.437, issue.239, p.9362, 2007.
DOI : 10.1007/s002140000230

G. Hunter, The exact one-electron model of molecular structure, International Journal of Quantum Chemistry, vol.12, issue.2, p.197, 1986.
DOI : 10.1002/ijch.198000003

M. W. Schmidt, K. K. Baldridge, J. A. Boatz, S. T. Elbert, M. S. Gordon et al., General atomic and molecular electronic structure system, Journal of Computational Chemistry, vol.115, issue.11, p.1347, 1993.
DOI : 10.1007/978-94-009-4584-5_13

J. Ahrens, B. Geveci, C. Law, C. Hansen, and C. Johnson, 36-paraview: An end-user tool for large-data visualization, 2005.

W. Humphrey, A. Dalke, and K. Schulten, VMD: Visual molecular dynamics, Journal of Molecular Graphics, vol.14, issue.1, p.33, 1996.
DOI : 10.1016/0263-7855(96)00018-5

A. Fischer, D. Tiana, W. Scherer, K. Batke, G. Eickerling et al., Experimental and Theoretical Charge Density Studies at Subatomic Resolution, The Journal of Physical Chemistry A, vol.115, issue.45, p.13061, 2011.
DOI : 10.1021/jp2050405

A. D. Becke and K. E. Edgecombe, A simple measure of electron localization in atomic and molecular systems, The Journal of Chemical Physics, vol.12, issue.9, p.5397, 1990.
DOI : 10.1063/1.438955

P. Reinhardt and P. E. Hoggan, Cusps and derivatives for wave-functions expanded in Slater orbitals: A density study, International Journal of Quantum Chemistry, vol.100, issue.14, p.3191, 2009.
DOI : 10.1142/6107

J. Contreras-garcía, M. Calatayud, and J. P. , Ionic interactions: Comparative topological approach, Computational and Theoretical Chemistry, vol.998, p.193, 2012.
DOI : 10.1016/j.comptc.2012.07.043

R. Llusar, A. Beltrán, J. Andrés, S. Noury, and B. Silvi, Topological analysis of electron density in depleted homopolar chemical bonds, Journal of Computational Chemistry, vol.109, issue.14, p.1517, 1999.
DOI : 10.1021/ja00259a006

S. Shaik, D. Danovich, B. Silvi, D. L. Lauvergnat, and P. C. Hiberty, Charge-Shift Bonding???A Class of Electron-Pair Bonds That Emerges from Valence Bond Theory and Is Supported by the Electron Localization Function Approach, Chemistry - A European Journal, vol.104, issue.21, p.6358, 2005.
DOI : 10.1021/jp9924878

URL : https://hal.archives-ouvertes.fr/hal-00126509

S. Shaik, P. Maitre, G. Sini, and P. C. Hiberty, The charge-shift bonding concept. Electron-pair bonds with very large ionic-covalent resonance energies, Journal of the American Chemical Society, vol.114, issue.20, p.7861, 1992.
DOI : 10.1021/ja00046a035

W. Wu, J. Gu, J. Song, S. Shaik, and P. C. Hiberty, The Inverted Bond in [1.1.1]Propellane is a Charge-Shift Bond, Angewandte Chemie, vol.26, issue.8, p.1435, 2009.
DOI : 10.1007/s00214-002-0364-8

R. Gershoni-poranne and P. Chen, The Carbon-Nitrogen Bonds in Ammonium Compounds Are Charge Shift Bonds, Chemistry - A European Journal, vol.134, issue.19, p.4659, 2017.
DOI : 10.1016/0168-1176(94)03972-0

K. Wagner and M. Kohout, Atomic shell structure based on inhomogeneity measures of the electron density, Theoretical Chemistry Accounts, vol.440, issue.1, p.39, 2011.
DOI : 10.1016/j.cplett.2007.04.020

J. Contreras-garcia and W. Yang, in Chemical concepts from density functional theory (Acta Physico- Chimica Sinica.), chap. The chemical information in Jacob's ladder

N. Gillet, R. Chaudret, J. Contreras-garc´?agarc´?a, W. Yang, B. Silvi et al., Coupling Quantum Interpretative Techniques: Another Look at Chemical Mechanisms in Organic Reactions, Journal of Chemical Theory and Computation, vol.8, issue.11, p.3993, 2012.
DOI : 10.1021/ct300234g

URL : https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3505119/pdf

D. Fang, R. Chaudret, J. P. Piquemal, and G. A. Cisneros, Toward a Deeper Understanding of Enzyme Reactions Using the Coupled ELF/NCI Analysis: Application to DNA Repair Enzymes, Journal of Chemical Theory and Computation, vol.9, issue.5, p.2156, 2013.
DOI : 10.1021/ct400130b

J. Andrés, S. Berski, J. Contreras-garcía, and P. González-navarrete, Chemical Reaction: A Study Based on the Joint Use of the Quantum Theory of Atoms in Molecules (QTAIM) and Noncovalent Interaction (NCI) Index, The Journal of Physical Chemistry A, vol.118, issue.9, p.1663, 2014.
DOI : 10.1021/jp4111376

A. Armstrong, R. A. Boto, P. Dingwall, J. Contreras-garcia, M. J. Harvey et al., The Houk???List transition states for organocatalytic mechanisms revisited, Chem. Sci., vol.7, issue.5, p.2057, 2014.
DOI : 10.1021/ct100641a

URL : https://hal.archives-ouvertes.fr/hal-01118864