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CNDO/2 (complete neglect of differential overlap)-method for third-row molecules |
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| Authors: | H L Hase A Schweig |
| Institution: | (1) Fachbereich Physikalische Chemie der Universität, D-3550 Marburg Lahn, Germany |
| Abstract: | An extension of the CNDO/2 method to compounds containing third-row elements (Germanium, Arsenic, Selenium and Bromine) is presented. Bond lengths, bond angles, dipole moments, and ionization potentials are considered. |
| Keywords: | CNDO/2-method for third-row atoms All-valence electron calculations Dipole moment formula for third-row molecules |
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