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- W2360955057 abstract "Using the CISD method of the ab initio MELD package with 6-311+ +G(2d,2p) basis set combined with our in-house program,the potential acting on an electron within a molecule(PAEM) were calculated,and the molecular faces have been displayed and explored for FH-Rg(Rg=He,Ne,Ar) dimers.From the character provided by the foreland electron density,we can find out the difference of the interaction between the noble gas and the HF.The character is also a vivid implement to distinguish the interaction between the covalent and the non-covalent.It also can be shown from the molecular intrinsic characteristic contour that the F,H and Rg become deformed out of shape,especially the noble gas atoms." @default.
- W2360955057 created "2016-06-24" @default.
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- W2360955057 date "2012-01-01" @default.
- W2360955057 modified "2023-09-23" @default.
- W2360955057 title "Theoretical study on the molecular face for FH-Rg dimer" @default.
- W2360955057 hasPublicationYear "2012" @default.
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