Chem. J. Chinese Universities ›› 1986, Vol. 7 ›› Issue (8): 725.
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Wu Weixiong, Feng Xinghong, Zhu Longgen, You Xiaoseng, Dai Anbang
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Abstract: Bused on the Sum-Over-States Pertubation theory,we extencd the INDOmethod to make it useful for the calculation of the NMRchemical shift for the compounds including s,p,d and ? orbitals.All the formulae and results for the matrix elements (operators O=1/r,L,or L/r) neglecting the differential overlap are reported.
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Wu Weixiong, Feng Xinghong, Zhu Longgen, You Xiaoseng, Dai Anbang . Calculation of NMR Chemical Shift by Sum-Over-States Perturbation Theory[J]. Chem. J. Chinese Universities, 1986, 7(8): 725.
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http://www.cjcu.jlu.edu.cn/EN/Y1986/V7/I8/725
