A High Level AB Initio Study of the Anionic Hydrogen-Bonded Complexes Fh-Cn-, Fh-Nc-, H2o-Cn- And H2o-Nc- by National Aeronautics and Space Adm Nasa

A High Level AB Initio Study of the Anionic Hydrogen-Bonded Complexes Fh-Cn-, Fh-Nc-, H2o-Cn- And H2o-Nc-

National Aeronautics and Space Adm Nasa

42 pages • missing pub info (view editions)

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HF, H2O, CN- and their hydrogen-bonded complexes were studied using state-of-the-art ab initio quantum mechanical methods. A large Gaussian one particle basis set consisting of triple zeta plus double polarization plus diffuse s and p functions (T...

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