Computation of curve-crossing diagrams b
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Luis RincΓ³n
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Article
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1996
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John Wiley and Sons
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English
β 594 KB
Avoided crossing diagram parameters for the radical exchange reaction and the concerted exchange of two and three bonds are computed by using the approximated valence bond method, which is a nonorthogonal configuration interaction (CI) semiempirical method among the valence bond configuration functi