Browsing by Author "d49e9c0e-b4dd-4c95-ba6a-e26cc3b59e77"
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Santos, Juan C.; Andres, Juan; Aizman, Arie; Fuentealba Rosas, Patricio; Polo, Victor (2005)The reaction mechanism associated with the Bergman cyclization of the (Z)-hexa-1,5-diyne-3-ene to render p-benzyne has been analyzed by means of a combined use of the electron localization function (ELF) and the catastrophe ...
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Fuentealba Rosas, Patricio; Santos, Juan C. (2011)The Electron Localization Function (ELF) has played in the last time an important role in understanding the special characteristics of the chemical bond. The chemical interpretation of the ELF as an indicator of the regions ...
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Chamorro, Eduardo; Santos, Juan C.; Gómez, Badhin; Contreras Ramos, Renato; Fuentealba Rosas, Patricio (2002)It is shown that the topological analysis of the electron localization function (ELF), a measure of the local Pauli repulsion, is a useful tool to describe the bonding nature of transition structures of simple pericyclic ...