Matches in SemOpenAlex for { <https://semopenalex.org/work/W4286354902> ?p ?o ?g. }
- W4286354902 abstract "This chapter presents recent progress in developing computational methods and applications of automated mechanism discovery in chemistry. Systematic determination of the reaction mechanisms has been a challenging topic in modern computational chemistry. For this purpose, various computational methods have been developed to find multiple reaction paths starting from a known local minimum (LM). Applying such techniques to various LMs one-after-another explores reaction path networks in a broad sense and rationalizes the mechanisms of the known, unknown, or unexpected reactions. Thus, automated mechanism discovery can guide experimental researchers to develop novel chemical reactions and materials." @default.
- W4286354902 created "2022-07-21" @default.
- W4286354902 creator A5005148680 @default.
- W4286354902 creator A5007539161 @default.
- W4286354902 creator A5086202564 @default.
- W4286354902 creator A5089960526 @default.
- W4286354902 date "2022-01-01" @default.
- W4286354902 modified "2023-09-25" @default.
- W4286354902 title "Automated Mechanism Discovery" @default.
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