Python接口，用于使用斯坦福研究系统EC301 Potentiostat执行电化学阻抗谱（EIS），
Python interface for performing electrochemical impedance spectroscopy (EIS) using the Stanford Research System EC301 Potentiostat, (2016-06-22, Others, 0KB, 下载0次)
电化学阻抗谱（EIS）数据的分层贝叶斯反演，
Hierarchical Bayesian inversion of electrochemical impedance spectroscopy (EIS) data, (2022-10-07, Python, 0KB, 下载0次)
奇斯基特化学，，
qiskit-chemistry,, (2019-06-30, Python, 0KB, 下载0次)
使用量子化学程序ORCA计算含铁化合物的穆斯堡尔参数。
Calculation of Mossbauer parameters of iron-containing compounds using the quantum chemistry program ORCA. (2021-05-27, Jupyter Notebook, 18988KB, 下载0次)
平面波基集一维中的周期量子化学
Periodic quantum chemistry in 1D with a plane-wave basis set (2019-11-19, Python, 6635KB, 下载0次)
哈斯克尔从头算量子化学
haskell ab-initio quantum chemistry (2016-09-15, Haskell, 33KB, 下载0次)
promolden的现代版本，一种由奥维耶多大学量子化学小组开发的fortran QTAIM IQA
A modern version of promolden, a fortran QTAIM IQA developed at the Quantum Chemistry group of University of Oviedo (2019-01-14, Fortran, 1155KB, 下载0次)
从萨博《现代量子化学》中的代码理解哈特里·福克斯
Understanding Hatree-Fock from code enclosed in Szabo s Modern Quantum Chemistry (2019-02-25, Fortran, 9KB, 下载0次)
一维量子化学
Quantum Chemistry in 1D (2020-03-25, Python, 90KB, 下载0次)
在分光光度法分析高浓度锌溶液中痕量钴离子浓度的过程中，由于基底离子Zn(II)与待测离子Co(II)化学性质相近，且基底离子浓度过高，导致Co(II)的光谱信号与Zn(II)的光谱信号重叠，溶液的吸光度与浓度在部分波长段呈现很强的非线性和不佳的加和性，因此无法通过全波段信息实现痕量Co(II)浓度的检测。本文提出了间隔-相关系数法对溶液的紫外可见光光谱进行波长点的筛选
In the process of spectrophotometric analysis of trace cobalt ion concentration in high concentration zinc solution, the base ion Zn(II) and the test ion Co(II) have similar chemical properties, and the base ion concentration is too high, resulting in Co(II) The spectral signal overlaps with the spectral signal of Zn(II), and the absorbance and concentration of the solution show strong nonlinearity and poor additivity over part of the wavelength band. Therefore, trace Co(II) concentrations cannot be achieved through the full band information. The test. In this paper, the interval-correlation method is proposed to screen the UV wavelength of the solution (2018-03-08, matlab, 5KB, 下载11次)