Molecular orbital studies of hydrogen chloride

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, , Citation H Itoh and H Hinazumi 1973 J. Phys. B: Atom. Mol. Phys. 6 L294 DOI 10.1088/0022-3700/6/10/006

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1 Hokkaido Univ., Sapporo, Japan

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0022-3700/6/10/L294

Abstract

The CNDO method has been applied to the system (HCl)n in order to examine the hydrogen-bonding energy and the effect of charge transfer in solid HCl. It has become apparent that the 3d orbitals of Cl atom will be taken into consideration when the hydrogen bond is discussed.

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