scholarly journals A test of ab initio-generated, radial intermolecular potential energy functions for five axially-symmetric, hydrogen-bonded complexes B⋯HF, where B = N2, CO, PH3, HCN and NH3

2021 ◽  
Vol 23 (12) ◽  
pp. 7271-7279
Author(s):  
Anthony C. Legon

Radial P.E. functions of hydrogen-bonded complexes B⋯HF (B = N2, CO, PH3, HCN and NH3) have been calculated ab initio at the CCSD(T)(F12C)/cc-pVTZ-F12 level as a function of the hydrogen-bond length r(Z⋯H), where Z is the H-bond acceptor atom of B.

1974 ◽  
Vol 26 (2) ◽  
pp. 284-287 ◽  
Author(s):  
V. Chandrasekharan ◽  
D. Farbre ◽  
M.M. Thiery ◽  
E. Uzan ◽  
M.C.A. Donkersloot ◽  
...  

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