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Carbon-beryllium binding in CH2Be |
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| Authors: | J. Stephen Binkley Rolf Seeger John A. Pople James D. Dill Paul von R. Schleyer |
| Affiliation: | (1) Department of Chemistry, Carnegie-Mellon University, 15213 Pittsburgh, Pennsylvania, USA;(2) Physikalisch-Chemisches Institut der Universität Basel, Klingelbergstrasse 80, CH-4056 Basel, Schweiz;(3) Institut für Organische Chemie, Universität Erlangen-Nürnberg, Henkestrasse 42, D-8520 Erlangen, Bundesrepublik Deutschland |
| Abstract: | Ab initio molecular orbital theory is used to study carbon-beryllium binding in the lowest singlet and triplet states of CH2Be. When electron correlation is included, both singlet and triplet states are significantly bound relative to the ground states of CH2 and Be fragments. |
| Keywords: | CH2Be, ground state of |
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