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. 2021 Nov 29;26(23):7247. doi: 10.3390/molecules26237247

Figure 5.

Figure 5

Potential energy surfaces along the four most important normal modes: symmetric C=C stretching and three N-Me2 tilting modes plotted from the database of 601 ab initio points resulting from the TDA-wB97X-D3/cc-pVDZ DD-vMCG dynamics in the gas phase started from the state La (S2). The diabatic coupling along those modes is plotted in grey for comparison.