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- Stéphane Noury, Xénophon Krokidis, Franck Fuster, Bernard Silvi
- Computers & Chemistry
- 1999

- Stéphane Noury, Bernard Silvi, R. J. Gillespie
- Inorganic chemistry
- 2002

The bonding in a large number of hypervalent molecules of P, As, S, Se, Te, Cl, and Br with the ligands F, Cl, O, CH(3), and CH(2) has been studied using the topological analysis of the electron localization function ELF. This function partitions the electron density of a molecule into core and valence basins and further classifies valence basins according… (More)

- Rosa Llusar, Armando Beltrán, Juan Andrés, Stéphane Noury, Bernard Silvi
- Journal of Computational Chemistry
- 1999

The topological analysis of the gradient field of the electron localization function provides a convenient theoretical framework for the partition of the molecular space into basins of attractors having a clear chemical meaning. The basin populations are evaluated by integrating the one-electron density over the basins. The variance of the basin population… (More)

- P. Lenoir, J-C Turpin, Yves Pawlotsky, Stéphane Noury, J Gouffault, Mathias Bourel
- Thérapie
- 1964

- P. Lenoir, O. Sabouraud, +5 authors Mathias Bourel
- La semaine des hôpitaux : organe fondé par l…
- 1963

- R. J. Gillespie, Stéphane Noury, Julien Pilmé, Bernard Silvi
- Inorganic chemistry
- 2004

We have studied the geometry of the formally d(0) MX(n)() (X = F, H, CH(3) and O; n = 2-6) molecules of the period 4 metals from Ca to Mn by studying the topology of the electron localization function (ELF) in order to try to understand why many of these molecules have non-VSEPR geometries. The quantitative analysis of the core basin population shows that… (More)

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