23 research outputs found

    Ab initio molecular orbital study of simple 1,3-dipolar reactions

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    C<sub>2</sub>Li<sub>6</sub> STRUCTURAL ISOMERS

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    Three C2Li6 isomers characterized by triple (III), double (VII), and single (VI) CC bonds are revealed by minimal basis set ab initio calculations to be favorable minima on the singlet potential energy surface

    The curious structure of the lithiocarbon C<SUB>3</SUB>Li<SUB>4</SUB>

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