FULL SIMULATION OF ROESY, INCLUDING THE HARTMANN-HAHN EFFECTS

被引：21

作者：

BAZZO, R

EDGE, CJ

WORMALD, MR

RADEMACHER, TW

DWEK, RA

机构：

[1] Oxford Glycobiology Unit, Department of Biochemistry, University of Oxford, Oxford, OX1 3QU, South Road

来源：

CHEMICAL PHYSICS LETTERS | 1990年 / 174卷 / 3-4期

关键词：

D O I：

10.1016/0009-2614(90)85352-D

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 general method for the computation of cross peak intensities in ROESY (rotating frame NOE spectroscopy) in illustrated in this paper. A suitable formalism, based on the density matrix theory, enables all the magnetization transfer processes occurring in ROESY, both coherent and incoherent, to be treated in a unified fashion. A Fortran computer program has been used to perform numerical simulations. This treatment aims at extending the range of applicability of ROESY, particularly in the conformational studies of organic and biological molecules by NMR. © 1990.

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页码：313 / 319

页数：7

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