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Summary.A new transition state algorithm incorporated into the density functional code deMon, has been used to study the transcis-hydroxymethylene and trans-hydroxymethylene formaldehyde isomerization processes and to localize the transition state for the decomposition of 1,3-diazacyclobutane to methyleneimine. Calculations have been performed using both local (LSD) and nonlocal spin density (NLSD)...
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