Skip to main content
. 2021 Sep 30;125(40):22100–22110. doi: 10.1021/acs.jpcc.1c06916

Figure 10.

Figure 10

Charge variation of one molecule of [VO(acac)2] crystal is analyzed along several normal modes from the 1100K,opt structure. The metal center and first coordination sphere atomic charges are reported. The data are reported in Table S5, while the phonons’ composition is depicted in Figure S10.