COMPUTER SIMULATION OF NUCLEAR MAGNETIC RESONANCE SPECTRA OBSERVED IN GLASS AND POWDER SAMPLES

Chinese Journal of Magnetic Resonance ›› 1988, Vol. 5 ›› Issue (2): 129-140.

Previous Articles Next Articles

COMPUTER SIMULATION OF NUCLEAR MAGNETIC RESONANCE SPECTRA OBSERVED IN GLASS AND POWDER SAMPLES

Zhang Xiangquan¹, Wu Xiaoling², Wu Xuewen²

1. Shanghai Jiao Tong University;
2. East-China Normal University

Received:1987-06-11 Published:1988-06-05 Online:2018-01-22

Abstract

Abstract: The computer simulation method of the solid powder pattern in the presence of anisotropic chemical shift effect and nuclear electric quadrupole interaction is presented. The computer program was designed for the powder pattern of the central transition of nuclei with half-integral spin. The "noise" and error in the simulation spectra as well as the spectra simulation procedure were analysed.

Key words: Computer Simulation, Glass state, Powder Sample, NMR, Powder pattern

Zhang Xiangquan, Wu Xiaoling, Wu Xuewen. COMPUTER SIMULATION OF NUCLEAR MAGNETIC RESONANCE SPECTRA OBSERVED IN GLASS AND POWDER SAMPLES[J]. Chinese Journal of Magnetic Resonance, 1988, 5(2): 129-140.

[1]	KOU Xinhui, ZHANG Yubing. Study on the Enantiomeric Recognition of Chiral Ureas Containing Amino Acid Units [J]. Chinese Journal of Magnetic Resonance, 2025, 42(3): 221-230.
[2]	DU Qunjie. Experimental Study on Accurate Determination of Shale Porosity by Nuclear Magnetic Resonance [J]. Chinese Journal of Magnetic Resonance, 2025, 42(3): 275-284.
[3]	JIANG Chaochao, YAO Shouquan, XU Juncheng, JIANG Yu. Design of the Broadband Magnetic Resonance Microcoil [J]. Chinese Journal of Magnetic Resonance, 2025, 42(3): 299-307.
[4]	LI Keyan, CHENG Xin, CHEN Junfei, CAO Li, HUANG Zhen, LIU Chaoyang. Development of Low-noise Preamplifier for Low-field NMR [J]. Chinese Journal of Magnetic Resonance, 2025, 42(3): 321-333.
[5]	LI Yujiang, ZHAO Wei, TAO Le, LU Bohua, ZHENG Guo, ZHANG Haiyan, GUO Xiaohe, ZHAO Tianzeng. NMR Data Analysis of Acarbose [J]. Chinese Journal of Magnetic Resonance, 2025, 42(2): 184-194.
[6]	ZHANG Jiayu, NIE Wenbo, TU Zhao, ZHENG Limin, WANG Yan, YANG Chunsheng. Three-Dimensional Structures of 3/4/5-O-feruloylquinic Acids by NMR Spectroscopy and Quantum Chemistry Calculation [J]. Chinese Journal of Magnetic Resonance, 2025, 42(1): 47-55.
[7]	SHEN Xueyuan, WANG Ruichen, QI Guodong, XU Jun, DENG Feng. Design of in situ Solid-State NMR Rotor Inserts and Their Application to Catalytic Reactions [J]. Chinese Journal of Magnetic Resonance, 2025, 42(1): 13-21.
[8]	SHEN Zhiqiang, DENG Yabo, YANG Peiju, HU Xiaoxue, HUANG Xiaojuan, XU Chuanzhi, SONG Huanling. Design and Application of an in situ NMR Device for Light-Induced Reaction Systems [J]. Chinese Journal of Magnetic Resonance, 2025, 42(1): 22-33.
[9]	LIU Hongbing, LIU Huili, LUO Liting, SUN Lijuan, CHEN Lei. Identification and Structural Characterization of an Unknown Trace Degradation Impurity in Cabazitaxel Injection by LC-DAD-SPE-NMR/MS [J]. Chinese Journal of Magnetic Resonance, 2025, 42(1): 34-46.
[10]	LI Mingdao, YAO Shouquan, XU Juncheng, LV Xinglong, HE Fengcheng, JIANG Yu. Design of the Handheld NMR Console [J]. Chinese Journal of Magnetic Resonance, 2024, 41(3): 257-265.
[11]	WANG Xingle, SHAO Zhengze, DONG Hongchun, WEI Daxiu, CHEN Qun, YAO Yefeng. Studies on the ¹H NMR Spectral Features of Hydrogen Molecules in the Interstices of SiO₂ Particles [J]. Chinese Journal of Magnetic Resonance, 2024, 41(3): 315-321.
[12]	YANG Yu, CHEN Bo, WU Liubin, LIN Enping, HUANG Yuqing, CHEN Zhong. Spectrum Reconstruction for Laplace NMR: From Handcraft Regularization to Deep Learning [J]. Chinese Journal of Magnetic Resonance, 2024, 41(2): 191-208.
[13]	MA Yingying, ZHANG Gong, LIAO Zhongshu. A Method for Improving the Measurement Accuracy of Nuclear Magnetic Resonance Fast Relaxation Signal [J]. Chinese Journal of Magnetic Resonance, 2024, 41(2): 162-172.
[14]	ZHU Xiaofeng, ZHAO Zhihong, TAN Rui, ZHOU Long, WANG Yichuan, LIU Wenjing, ZHANG Minghui, LIU Huabing. Water Migration Characteristics of Pinus Sylvestris During the Drying Process Studied by Single-sided Nuclear Magnetic Resonance [J]. Chinese Journal of Magnetic Resonance, 2024, 41(2): 173-183.
[15]	WANG Ziwen, XIN Jiaxiang, WEI Daxiu, YAO Yefeng. Preparation Efficiency of Singlet States in Multi-spin Systems with Different Coupling Configurations [J]. Chinese Journal of Magnetic Resonance, 2024, 41(1): 67-76.

COMPUTER SIMULATION OF NUCLEAR MAGNETIC RESONANCE SPECTRA OBSERVED IN GLASS AND POWDER SAMPLES

PDF (PC)

Knowledge

Abstract

Cite this article

share this article

References

Related Articles 15

Recommended Articles

Metrics

Comments