A NEW MOLECULAR MECHANICS COMPUTER-PROGRAM FOR GIANT FULLERENES AND NANOTUBES

被引：11

作者：

BORSTNIK, B

LUKMAN, D

机构：

[1] National Institute of Chemistry, 61000, Ljubljana

来源：

FULLERENE SCIENCE AND TECHNOLOGY | 1994年 / 2卷 / 04期

关键词：

D O I：

10.1080/15363839408010473

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 molecular mechanics computer program is designed to study the structure of fullerenes with icosahedral symmetry and carbon nanotubes. The program takes full advantage of symmetry. The program predicts meaningful conformations, energies of formation for symmetrical fullerenes as well as for the carbon nanotubes for which also the elastic properties are calculated.

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页码：357 / 366

页数：10

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