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非刚性分子中的核自旋弛豫:离散多位点局部动力学与各向异性分子重取向相结合。

Nuclear-spin relaxation in nonrigid molecules: discrete multisite local dynamics combined with anisotropic molecular reorientation.

作者信息

Bernatowicz Piotr, Kowalewski Jozef, Szymanski Slawomir

机构信息

Institute of Biochemistry and Biophysics, Polish Academy of Sciences, Pawińskiego 5a, 02-106 Warsaw, Poland.

出版信息

J Chem Phys. 2006 Jan 14;124(2):024108. doi: 10.1063/1.2149858.

Abstract

Nuclear-spin relaxation is considered in a molecular system undergoing two types of dynamic processes: asymmetric-top small-step rotational diffusion and discrete multisite local jumps. The two processes are assumed to be uncorrelated. Time correlation functions for relevant rank-two interactions and corresponding spectral density functions are derived for a general relation between the characteristic rate constants. In addition, limiting cases of fast and slow local motions and of some specific jump conditions are also investigated.

摘要

在一个经历两种动态过程的分子系统中考虑核自旋弛豫

不对称陀螺小步旋转扩散和离散多位点局部跳跃。假设这两个过程不相关。针对特征速率常数之间的一般关系,推导了相关二阶相互作用的时间关联函数和相应的谱密度函数。此外,还研究了快速和慢速局部运动以及一些特定跳跃条件的极限情况。

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