MODELISATION DE COMPLEXES ALCALINS DE MACROCYCLES ET PODANTS BICYCLOPHOSPHORANIQUES

Douraid Houalla Luboratoire de Synthèse et Physicochimie Organiyue ESA 5068, Université Paul Sabatier Toulouse III, 31062, Toulouse Cedex 4, France

Loeticia Moureau Luboratoire de Synthèse et Physicochimie Organiyue ESA 5068, Université Paul Sabatier Toulouse III, 31062, Toulouse Cedex 4, France

Christiane Vidal Service Informatique Chimie du Groupe Régional de Mesures Physiques Midi-Pyrénées, Université Paul Sabatier Toulouse III, 31062, Toulouse Cedex 4, France

Abstract

The molecular modeling of 40 complexes issued from the complexation of Li⁺, Na⁺ and K⁺ by the phosphoranic macrocycles 1–7 and podants 8–10 has been performed using the Insight II V97 program based on the ESFF force field including the modules Builder, Discover 3 and Analysis

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MODELISATION DE COMPLEXES ALCALINS DE MACROCYCLES ET PODANTS BICYCLOPHOSPHORANIQUES

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MODELISATION DE COMPLEXES ALCALINS DE MACROCYCLES ET PODANTS BICYCLOPHOSPHORANIQUES

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