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. Author manuscript; available in PMC: 2010 Jun 25.
Published in final edited form as: J Phys Chem A. 2009 Jun 25;113(25):7054–7063. doi: 10.1021/jp810119k

Figure 2.

Figure 2

Ground state potential energy surface along the τ1 and τ2 phenyl twisting coordinates. B3LYP/6-31G(d,p) level for Ph-P=P-Ph. The energy was calculated every 10° from −34° to 146° (361 points). All other geometric parameters were allowed to optimize. Energy is in kcal/mol, and is relative to the minimum.