AB-INITIO CALCULATIONS ON THE HYPERFINE ISOTOPE EFFECT BETWEEN C60H AND C60MU

被引：16

作者：

BOXWELL, MA

CLAXTON, TA

COX, SFJ

机构：

[1] UNIV LEICESTER, DEPT CHEM, LEICESTER LE1 7RH, ENGLAND

[2] RUTHERFORD APPLETON LAB, ISIS PULSED MUON FACIL, DIDCOT OX11 0QX, OXON, ENGLAND

来源：

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS | 1993年 / 89卷 / 16期

关键词：

D O I：

10.1039/ft9938902957

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：

Simplified to three modes of vibration, the potential-energy surface governing proton and muon motion in the radical C60H and its muonic isotopomer is calculated together with the property surface representing spin density at these particles. Averaged over zero-point motion in the vibrational ground states, spin density at the muon is predicted to be 6.6% larger than at the proton.

引用

页码：2957 / 2960

页数：4

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