• Corpus ID: 146121027

A General Strategy for Determining Atom Connecting Positions

  title={A General Strategy for Determining Atom Connecting Positions},
  author={Sk Zhang and Hai Xiao and Jun Li},
The construction of images used in chain-of-state(CoS) methods for transition state(TS) locating and minimum energy path(MEP) searching needs initial and final state prepared in advance. However, while exploring a chemical reaction with CoS methods, the final state is generally unknown and constructed with human feeling and experience, which is low efficient and time wasting. We purpose here a new concept called atom connecting position(ACP) which correlates with final state construction. And a… 

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