Theoretical Prediction of Stable Molecules with Multiple Xenon Atoms
Theoretical Prediction of Neutral Molecules Containing Ng-O(N) Bonds (Ng=Ar, Kr, Xe)
XNg-OY (X=H,F ; Y=H,BO ) XNgNY (X=H,F ; Y=BH,CO,H2,C)
MPW1B95/6-311+G(2df,2pd) CCSD(T)/aptz//MPW1B95/6-311+G(2df,2pd)
DSD-BLYP NgAuF CCSD(T)/aptz B2GP-PLYP FNgCN HHeF
¨ä¥L NgBeO
¨ä¥L(HNgF HNgCCH FNgCCH FNgBNH FNgBO FNgCH3)
Benchmark of DFT Methods on the Performance for Noble Gas Compounds
CCSD(T)/apqz//MP2/apdz HNgF HNgCCH FNgCCH FNgBNH FNgBO FNgCN FNgCH3
Benchmark of DFT Methods on the Prediction of Dissociation Barrier Heights of Noble-Gas Containing Molecules
Theoretical Prediction of Noble Gas Containing Anions FNgNBF
2-ƒ{ ( Ng= Ar, Kr and Xe)¡@
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HXeO3CCXeO3H ¨t¦C (pºâªí®æ)
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