Water site headerMasthead Island, Great Barrier ReefPrint-me keygo to Water Visitor Book contributions
Go to my page Water Structure and Science

Molecular Orbitals for Oxonium (H3O+) and Hydroxide (OH-) Ions

 

H3O+ molecular orbitals

H3O+

OH- molecular orbitals

OH-

 

The molecular orbitals were calculated using the Restricted Hartree-Fock wave function (RHF) with 6-31G** basis set. The calculated energies (eV) are given. Interactive structures with orbitals are available (COW only, H3O+ [Plug-in, ActiveX] 11 KB and OH- [Plug-in, ActiveX] 6 KB)

 

 

Home | Site Index | Water ionization | Hydrogen ions | Hydroxide ions | H3O2- molecular orbitals | H5O2+ molecular orbitals | LSBU | Top

 

This page was last updated by Martin Chaplin on 26 July, 2011


Creative Commons License
This work is licensed under a Creative Commons Attribution
-Noncommercial-No Derivative Works 2.0 UK: England & Wales License