A pathway to diphosphorus from the dissociation of photoexcited tetraphosphorus
We report a computational study of an energetically favorable pathway for the excited-state dissociation of a tetrahedral P[subscript 4] molecule into two P[subscript 2] molecules via the simultaneous breaking of four chemical bonds along a highly symmetric (D[subscript 2d]) reaction pathway. Along...
Main Authors: | Wang, Lee-Ping, Tofan, Daniel, Chen, Jiahao, Van Voorhis, Troy, Cummins, Christopher C. |
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Other Authors: | Massachusetts Institute of Technology. Computer Science and Artificial Intelligence Laboratory |
Format: | Article |
Language: | en_US |
Published: |
Royal Society of Chemistry
2014
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Online Access: | http://hdl.handle.net/1721.1/90977 https://orcid.org/0000-0003-2568-3269 https://orcid.org/0000-0001-7111-0176 |
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