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THEORETICAL APPROACH TO EPR-SPECTRUM OF C-60(-) IN MOLECULAR SIEVE-13X
QIN, SJ; YOU, WM; SU, ZB; QIN, SJ , ACAD SINICA,INST THEORET PHYS,POB 2735,BEIJING 100080,PEOPLES R CHINA.
1993
发表期刊CHEMICAL PHYSICS LETTERS
ISSN0009-2614
卷号213期号:40972页码:373-376
摘要The theoretical EPR spectrum of C60- in molecular sieve 13X is calculated by including the effect of a positive ion in the sieve. We start with the Huckel model and analyze the system consisting of the icosahedrally shaped C60- with a positive ion above its pentagon. The calculated results show that the EPR spectrum consists of a single line plus a pair of satellites generated by five equivalent atoms, and that the satellites have a combined intensity of 4.9%. Our theoretical results are in agreement with EPR experimental data.
关键词Electronic-structure C-60 Carbon C70
学科领域Physics
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收录类别SCI
文献类型期刊论文
条目标识符http://ir.itp.ac.cn/handle/311006/11996
专题理论物理所1978-2010年知识产出
通讯作者QIN, SJ , ACAD SINICA,INST THEORET PHYS,POB 2735,BEIJING 100080,PEOPLES R CHINA.
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QIN, SJ,YOU, WM,SU, ZB,et al. THEORETICAL APPROACH TO EPR-SPECTRUM OF C-60(-) IN MOLECULAR SIEVE-13X[J]. CHEMICAL PHYSICS LETTERS,1993,213(40972):373-376.
APA QIN, SJ,YOU, WM,SU, ZB,&QIN, SJ , ACAD SINICA,INST THEORET PHYS,POB 2735,BEIJING 100080,PEOPLES R CHINA..(1993).THEORETICAL APPROACH TO EPR-SPECTRUM OF C-60(-) IN MOLECULAR SIEVE-13X.CHEMICAL PHYSICS LETTERS,213(40972),373-376.
MLA QIN, SJ,et al."THEORETICAL APPROACH TO EPR-SPECTRUM OF C-60(-) IN MOLECULAR SIEVE-13X".CHEMICAL PHYSICS LETTERS 213.40972(1993):373-376.
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