https://www.selleckchem.com/pr....oducts/pf-562271.htm
atory morbidity in preterm infants.The radial potential energy is calculated ab initio at the explicitly correlated level of theory CCSD(T)(F12c)/cc-pVTZ-F12 for the five axially symmetric, halogen-bonded complexes B⋅⋅⋅ClF (B=N2 , CO, PH3 , HCN, and NH3 ) as a function of the intermolecular distance r. The PE curves are fitted by the Hulburt-Hirschfelder analytical function under the assumption of a pseudo-diatomic model. The spectroscopic constants ω σ and ω σ x σ , and α σ of the intermolecular stretching mode υ σ are calculated by
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