Theoretical studies of diphosphene and diphosphinylidene in their closed-shell states, low-lying open-shell singlet and triplet states, and transition states. Search for a stable bridged structure

The authors have undertaken a systematic study of the various low-lying electronic states of the H/sub 2/P/sub 2/ system, about which little is known experimentally, using the methods of ab initio molecular electronic structure theory. For each state they have predicted its molecular geometry, energ...

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