Short communication, Note

Molecular Orbital Treatment of HF and HF2 by CND0/2 and INDO

J . Koller ; Chemical Institute »Boris Kidric«, Ljubljana, Yugoslavia
B. Borštnik ; Chemical Institute »Boris Kidric«, Ljubljana, Yugoslavia
A. Ažman ; Chemical Institute »Boris Kidric«, Ljubljana, Yugoslavia

Abstract

By the development of all electrons semiempirical SCF method it became
possible to study in a unique way the changes in electron configuration with the formation of the hydrogen bond. We believe that it is worth making detail calculation using very advanced semiempirical method1 on molecules where the comparison can be made with ab-initio calculation. We made such a calculation on HF and HF2 ion.

Keywords

Hrčak ID:

207951

URI

https://hrcak.srce.hr/207951

Publication date:

1.10.1969.

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