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- W2364831903 abstract "Based on the Atomic and Molecular Reaction Statics, the ground electronic states for CuX(X=Al,Ga,In)(()~1∑~+) and the dissociation limit have been derived.The molecular equilibrium geometry Re,vibrational frequencies ω and corresponding reasonable dissociation energy De for CuX(X=Al,Ga,In) have been calculated at B3LYP/LANL2DZ theoretical levels.The total space analytical potential functions for species are constructed by fitting the energy curves as Murrell-Sorbie function,and spectroscopic data and force constants are derived from it.It shows that CuX(X=Al,Ga,In) can be stable and the order of stableness is CuAlCuGaCuIn." @default.
- W2364831903 created "2016-06-24" @default.
- W2364831903 creator A5032237120 @default.
- W2364831903 date "2006-01-01" @default.
- W2364831903 modified "2023-09-30" @default.
- W2364831903 title "Density functional study of potential energy function and stability of CuX(X=Al,Ga,In) molecules" @default.
- W2364831903 hasPublicationYear "2006" @default.
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