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× ab initio
来源:International Journal of Molecular Sciences , 2009
作者:Lei Jiang, Wei Wang
关键词:limonene;nitrate radical (NO3);...
使用许可:CC BY
来源:International Journal of Molecular Sciences , 2003
作者:P. Kolandaivela
关键词:ab initio;density functional theory;...
使用许可:Unknown
来源:International Journal of Molecular Sciences , 2003
作者:Yevgeniy Podolyan, Leonid Gorb
关键词:ab initio;quantum dynamics;...
使用许可:Unknown
来源:Molecules , 2003
作者:Eva Scholtzová, Pavel Mach
关键词:Sulfated monosaccharides;structure;...
使用许可:CC BY
5 Post Hartree–Fock and DFT Studies on Pyrrole···Nitrogen and Pyrrole···Carbon Monoxide Molecules [期刊论文]
来源:International Journal of Molecular Sciences , 2002
作者:R. Kanakaraju
关键词:ab initio;Density functional theory;...
使用许可:CC BY
来源:International Journal of Molecular Sciences , 2002
作者:
关键词:Perturbation theory;multireference;...
使用许可:CC BY