Addition of bio-organic compounds on C60:: A semi-empirical investigation of its reactivity with glycine

被引：17

作者：

Ben Messaouda, Mharned ^{[1
]}

Moussa, Fathi

Tangour, Bahoueddine

Szwarc, Henri

Abderrabba, Manef

机构：

[1] Univ Paris 11, Fac Pharm, CNRS, UMR 8612, F-92290 Chatenay Malabry, France

[2] IPEST, Unite Rech Physicochim Mol, La Marsa, France

[3] Univ Paris 11, Fac Pharm, Chim Analyt Lab, F-92290 Chatenay Malabry, France

来源：

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 2007年 / 809卷 / 1-3期

关键词：

fullerene; glycine; AM1;

D O I：

10.1016/j.theochem.2007.01.016

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The thermodynamic stability of C-60(Glycine)(n) (where n = 1-4) has been studied by means of AM1 calculations to determine the positions where glycine molecules are preferentially added onto [60]fullerene molecule. This study is meant to get some insight into the results of syntheses of C-60 derivatives with biological activities. (C) 2007 Elsevier B.V. All rights reserved.

引用

页码：153 / 159

页数：7

共 8 条

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