Automated Discovery of Elementary Chemical Reaction Steps Using Freezing String and Berny Optimization Methods

Journal of Chemical Theory and Computation

Volumn 11, Issue 9, 2015, Pages 4248-4259

  Suleimanov, Yury V ^a,b   Green, William H ^b  

^a CYPRUS INSTITUTE   (Cyprus)

^b Massachusetts Institute of Technology Cambridge   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84941088744     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/acs.jctc.5b00407     Document Type: Article

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