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1 parent bf4da47 commit e44b41aCopy full SHA for e44b41a
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input/kinetics/families/1,4_Linear_birad_scission/groups.py
@@ -38,3 +38,39 @@
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"""
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)
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+
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+forbidden(
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+ label = "N2O2a",
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+ group =
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+"""
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+multiplicity [3]
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+1 *3 O u0 p2 c0 {2,S} {3,S}
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+2 *2 N u0 p1 c0 {1,S} {4,D}
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+3 *4 O u1 p2 c0 {1,S}
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+4 *1 N u1 p1 c0 {2,D}
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+""",
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+ shortDesc = u"""""",
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+ longDesc =
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+u"""
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+N2O2 reacts in this family to form a singlet O2 (O=O)
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+See RMG-Py issue #1020
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+)
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+ label = "N2O2b",
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+1 *2 O u0 p2 c0 {2,S} {3,S}
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+2 *3 N u0 p1 c0 {1,S} {4,D}
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+3 *1 O u1 p2 c0 {1,S}
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+4 *4 N u1 p1 c0 {2,D}
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+Same as above, inverse atom labeling
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