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Can I read Ab initio calculations on CICN and ONCI on EtoBox?
Ab initio calculations on CICN and ONCI by Åse Støg»rd is a Physics and Astronomy article available to read on EtoBox.
What is Ab initio calculations on CICN and ONCI about?
Ab initio calculations are presented for the mo?ecules ClCN and ONCI with optimization of all geometric parameters. Calculated equilibrium geometries for CICN are in good agreement with microwave data; however, the calculated N-Cl distance in ONCL is about 0.1 A shorter than obtained by electron diffraction. Orbittl energies are calculated by means of Koopmans' theorem and also by ASCF calculations. The importance of relaxation energy is shown by comparing the calculated orbital energies with experimental data from photoelectron spectra of the valence levels.
Who reads Ab initio calculations on CICN and ONCI?
It is typically read by researchers, students, and practitioners in Physics and Astronomy.
- Author
- Åse Støg»rd
- Publisher
- Elsevier Science; Elsevier ; Elsevier BV (ISSN 0009-2614)
- Published
- 1976
- Language
- EN
- Field
- Physics and Astronomy (Physical Sciences)