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- W2385790381 abstract "The equilibrium structure and dissociation energy of HCl molecule at the ground state are calculated and optimized using quantum chemistry methods CCSD(T)and QCISD(T) at the 6-311++G** and cc-pvdz basis set.The equilibrium nuclear distance is agree with experiment data.The analytic potential energy function of HCl at the ground state is derived by least square fitting to the Murrell-Sorbie function,and the force constants and the optical constants are calculated.The calculating results are in good agreement with the experiment data." @default.
- W2385790381 created "2016-06-24" @default.
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- W2385790381 date "2007-01-01" @default.
- W2385790381 modified "2023-09-28" @default.
- W2385790381 title "Structure and potential energy function of the ground state (X~1∑~+) of HCl" @default.
- W2385790381 hasPublicationYear "2007" @default.
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