A fortran program to simulate quadrupole-distorted NMR powder patterns
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https://elsevier.digitalcommonsdata.com/datasets/f84chdz9ch
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资源简介：
Title of program: HEQSIM2
Catalogue Id: ABMW_v1_0
Nature of problem
The effects of a quadrupole interaction, dipolar broadening, and a chemical shift on the NMR spectrum (static) of a nucleus of arbitrary spin where i is between 1 and 5, are simulated and plotted.
Versions of this program held in the CPC repository in Mendeley Data
ABMW_v1_0; HEQSIM2; 10.1016/0010-4655(77)90036-4
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
程序名称：HEQSIM2
目录编号：ABMW_v1_0
问题本质
针对自旋量子数i取值介于1至5之间的任意原子核，模拟并绘制其四极相互作用、偶极展宽以及化学位移对其静态核磁共振（Nuclear Magnetic Resonance, NMR）谱的影响。
该程序收录于Mendeley Data中的计算机物理通讯程序库（Computer Physics Communications, CPC），相关版本信息如下：ABMW_v1_0；HEQSIM2；DOI:10.1016/0010-4655(77)90036-4
本程序源自贝尔法斯特女王大学托管的CPC程序库（1969-2019年）
创建时间：
2019-11-11
