NOVEL PC-PROGRAM-SYSTEMS FOR EFFICIENT ANALYSIS; SIMULATION AND ITERATION OF HIGH-RESOLUTION 1-D NMR SPECTRA

G. HAEGELE; R. FUHLER; H. W. HOEFFKEN; TH. LENZEN; R. SPISKE; U. WEBER

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NOVEL PC-PROGRAM-SYSTEMS FOR EFFICIENT ANALYSIS; SIMULATION AND ITERATION OF HIGH-RESOLUTION 1-D NMR SPECTRA

机译：用于高效分析的新型PC-PROGRAM-SYSTEMS；高分辨率一维核磁共振谱的模拟与迭代

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Complex second-order NMR spectra derived from single spins or groups consisting of spins I ≥ 1/2 in isotropic or nematic phases are simulated by WIN-DAISY. Refined NMR parameters are obtained by efficient iteration.

机译：通过WIN-DAISY模拟从各向同性或向列相中自旋I≥1/2的单个自旋或组组成的复杂二阶NMR光谱。通过有效的迭代获得精确的NMR参数。

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来源
《Computers & Chemistry》 |1995年第3期|p.283-285|共3页
作者
G. HAEGELE; R. FUHLER; H. W. HOEFFKEN; TH. LENZEN; R. SPISKE; U. WEBER;
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Heinrich-Heine-Universitaet Duesseldorf, Universitaetsstrasse 1, D-40225 Duesseldorf, Germany;

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正文语种 eng
中图分类计算机的应用;
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入库时间 2022-08-18 01:07:41

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NOVEL PC-PROGRAM-SYSTEMS FOR EFFICIENT ANALYSIS; SIMULATION AND ITERATION OF HIGH-RESOLUTION 1-D NMR SPECTRA

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