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submitted on 19.05.2019 and posted on 20.05.2019by kun liu, yuxue li, jingbo zhang, yue lu, bin wang
We focus on the geometric nature of minimum energy crossing point (MECP) and give a reduced vibrational analysis (RVA) method for testing sufficiency of MECP candidate solution. Furthermore, an example is used to illustrate the risk if the test is ignored. In the support information, a detailed algorithm is given. The Gaussian and GaussView software are used in the example.