ON THE VIBRATIONAL ASSIGNMENT OF FULLERENE C-60

被引：56

作者：

SCHETTINO, V

SALVI, PR

BINI, R

CARDINI, G

机构：

[1] Laboratorio di Spettroscopia Molecolare, Dipartimento di Chimica, Universitá di Firenze, 50121 Firenze

来源：

JOURNAL OF CHEMICAL PHYSICS | 1994年 / 101卷 / 12期

关键词：

D O I：

10.1063/1.467795

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：

A recent density functional perturbation theory calculation of the vibrational frequencies of C60 is compared with the infrared spectrum of the crystal. The vibrational assignment of C60 is completed with the help of the calculation plus the available infrared, Raman, and inelastic neutron scattering spectra. © 1994 American Institute of Physics.

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页码：11079 / 11081

页数：3

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