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RMG-database v2.1.6
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@mliu49 mliu49 released this 02 May 15:44
· 1640 commits to main since this release
2.1.6
ce3c72c

  • Additions:

    • New training reactions added for [NH2] related H_Abstractions
    • 14 new kinetics libraries related to aromatics formation (see RMG-database #222 for details)

  • Other changes:

    • Removed some global forbidden groups which are no longer needed
    • Forbid CO and CS biradicals
    • Updated lone_electron_pair_bond family and removed from recommended list

  • Fixes:

    • Fixed unit errors in some H_Abstraction and R_Addition_MultipleBond depositories
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