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ÇëÎÊ ÄÄλ´óÏÀÖªµÀÒ»ÏÂÕâ¾ä»°¸ÃÔõô·Òë »òÕßÔõôÀí½â°¡£¿ Electronics driven structural distortion is a common phenomena which tend to reduce the barrier in several cases. Distortion such as Jahn-Teller which are dynamic in nature, has a important role to play in stabilizing different pathways and to preferentially select particular mechanism. The dx2-y2 being orthogonal to the Oxygen p-orbital is not the only possibility at S=2 (or other spin-states) but is likely to be the global minimum with other J-T isomers being closer (much closer than energy estimate of different pathways). Íò·Ö¸Ðл£¡ |
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