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Variable-Cell Double-Ended Surface Walking Method for Fast Transition State Location of Solid Phase Transitions
Zhang, Xiao-Jie, Liu, Zhi-PanVolume:
11
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.5b00641
Date:
October, 2015
File:
PDF, 3.07 MB
english, 2015