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Improve excited species handeling in FFCM1(-)
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- C radical was changed from multiplicity 5 to 3, and is now explicitly called C(T)
- Both forms of the CH radical are now included, CH(D) and CH(Q), along with thermo data
- CH2 radicals are now explicitly called either CH2(S) or CH2(T). [previously was CH2 and CH2(S)]
- Reactions involving the excited CH state, CH(T), were added
- All reactions are now reversible
- The excited state of OH radicals was not added yet (commented-out)
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alongd committed Mar 21, 2017
1 parent 4870d9f commit 31cd7b6
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Showing 3 changed files with 197 additions and 105 deletions.
15 changes: 10 additions & 5 deletions input/kinetics/libraries/FFCM1(-)/dictionary.txt
Original file line number Diff line number Diff line change
Expand Up @@ -56,16 +56,21 @@ CO2
2 O u0 p2 c0 {1,D}
3 O u0 p2 c0 {1,D}

C
multiplicity 5
1 C u4 p0 c0
C(T)
multiplicity 3
1 C u2 p1 c0

CH(D)
multiplicity 2
1 C u1 p1 c0 {2,S}
2 H u0 p0 c0 {1,S}

CH
CH(Q)
multiplicity 4
1 C u3 p0 c0 {2,S}
2 H u0 p0 c0 {1,S}

CH2
CH2(T)
multiplicity 3
1 C u2 p0 c0 {2,S} {3,S}
2 H u0 p0 c0 {1,S}
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