COMPUTER-PROGRAM FOR THE CALCULATION OF PARAMAGNETIC ENHANCEMENTS NUCLEAR-RELAXATION RATES IN SLOWLY ROTATING SYSTEMS

被引:114
作者
BERTINI, I [1 ]
GALAS, O [1 ]
LUCHINAT, C [1 ]
PARIGI, G [1 ]
机构
[1] UNIV BOLOGNA,INST AGR CHEM,BOLOGNA,ITALY
关键词
D O I
10.1006/jmra.1995.1074
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
A computer program has been developed for the calculation of paramagnetic enhancement of nuclear-relaxation rates as a function of magnetic field in slowly rotating systems, when the Solomon-Bloembergen equations break down. The inclusion in the static spin-Hamiltonian parameters of g anisotropy, zero-field splitting, and hyperfine coupling with the metal nucleus provides a description of the electron spin system which is practically complete and adequate for most experimental cases, All three tensorial terms may include rhombic components and they can be treated simultaneously, provided that the tensors share the same principal axes. (C) 1995 Academic Press, Inc.
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页码:151 / 158
页数:8
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