摘要 : The dependence of spin-spin nuclear magnetic resonance (NMR) coupling constants on the basis set and electron correlation has been investigated in methane using Hartree-Fock and multiconfigurational self-consistent field wave func... 展开
作者 | Guilleme J. San Fabian J. |
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作者单位 | |
期刊名称 | 《The Journal of Chemical Physics》 |
总页数 | 14 |
语种/中图分类号 | 英语 / O64 |
关键词 | Gaussian-basis sets Angular-dependence Chemical-shifts Wave-functions Proton Methane Atoms C-13-h-1 Conformation Isotopomers |
馆藏号 | N2008EPST0006632 |