A pathway to diphosphorus from the dissociation of photoexcited tetraphosphorus

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...

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Bibliographic Details
Main Authors: Wang, Lee-Ping, Tofan, Daniel, Chen, Jiahao, Van Voorhis, Troy, Cummins, Christopher C.
Other Authors: Massachusetts Institute of Technology. Computer Science and Artificial Intelligence Laboratory
Format: Article
Language:en_US
Published: Royal Society of Chemistry 2014
Online Access:http://hdl.handle.net/1721.1/90977
https://orcid.org/0000-0003-2568-3269
https://orcid.org/0000-0001-7111-0176

Internet

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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