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alongdalongd
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Added the FFCM-1 library (kinetic + thermo)
1 parent e6ce739 commit be87b70

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‎input/kinetics/libraries/FFCM1(-)/dictionary.txt‎

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CH2(S)
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1 C u0 p1 c0 {2,S} {3,S}
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2 H u0 p0 c0 {1,S}
4+
3 H u0 p0 c0 {1,S}
5+
6+
CH3OH
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1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S}
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2 O u0 p2 c0 {1,S} {6,S}
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3 H u0 p0 c0 {1,S}
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4 H u0 p0 c0 {1,S}
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5 H u0 p0 c0 {1,S}
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6 H u0 p0 c0 {2,S}
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14+
CH2O
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1 C u0 p0 c0 {2,D} {3,S} {4,S}
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2 O u0 p2 c0 {1,D}
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3 H u0 p0 c0 {1,S}
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4 H u0 p0 c0 {1,S}
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CH2OH
21+
multiplicity 2
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1 C u1 p0 c0 {2,S} {3,S} {4,S}
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2 O u0 p2 c0 {1,S} {5,S}
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3 H u0 p0 c0 {1,S}
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4 H u0 p0 c0 {1,S}
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5 H u0 p0 c0 {2,S}
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CH3CO
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multiplicity 2
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1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S}
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2 C u1 p0 c0 {1,S} {6,D}
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3 H u0 p0 c0 {1,S}
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4 H u0 p0 c0 {1,S}
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5 H u0 p0 c0 {1,S}
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6 O u0 p2 c0 {2,D}
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O2
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multiplicity 3
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1 O u1 p2 c0 {2,S}
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2 O u1 p2 c0 {1,S}
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CH2CHO
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multiplicity 2
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1 C u0 p0 c0 {2,D} {4,S} {5,S}
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2 C u0 p0 c0 {1,D} {3,S} {6,S}
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3 O u1 p2 c0 {2,S}
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4 H u0 p0 c0 {1,S}
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5 H u0 p0 c0 {1,S}
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6 H u0 p0 c0 {2,S}
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C2H4
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1 C u0 p0 c0 {2,D} {3,S} {4,S}
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2 C u0 p0 c0 {1,D} {5,S} {6,S}
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3 H u0 p0 c0 {1,S}
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4 H u0 p0 c0 {1,S}
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5 H u0 p0 c0 {2,S}
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6 H u0 p0 c0 {2,S}
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59+
H2O2
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1 O u0 p2 c0 {2,S} {3,S}
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2 O u0 p2 c0 {1,S} {4,S}
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3 H u0 p0 c0 {1,S}
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4 H u0 p0 c0 {2,S}
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C2H2
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1 C u0 p0 c0 {2,T} {3,S}
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2 C u0 p0 c0 {1,T} {4,S}
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3 H u0 p0 c0 {1,S}
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4 H u0 p0 c0 {2,S}
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CH2
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multiplicity 3
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1 C u2 p0 c0 {2,S} {3,S}
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2 H u0 p0 c0 {1,S}
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3 H u0 p0 c0 {1,S}
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CH3
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multiplicity 2
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1 C u1 p0 c0 {2,S} {3,S} {4,S}
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2 H u0 p0 c0 {1,S}
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3 H u0 p0 c0 {1,S}
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4 H u0 p0 c0 {1,S}
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84+
HO2
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multiplicity 2
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1 O u0 p2 c0 {2,S} {3,S}
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2 O u1 p2 c0 {1,S}
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3 H u0 p0 c0 {1,S}
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90+
CH4
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1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S}
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2 H u0 p0 c0 {1,S}
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3 H u0 p0 c0 {1,S}
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4 H u0 p0 c0 {1,S}
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5 H u0 p0 c0 {1,S}
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97+
C2H
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multiplicity 2
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1 C u0 p0 c0 {2,T} {3,S}
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2 C u1 p0 c0 {1,T}
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3 H u0 p0 c0 {1,S}
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HCCO
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multiplicity 2
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1 C u0 p0 c0 {2,T} {4,S}
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2 C u0 p0 c0 {1,T} {3,S}
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3 O u1 p2 c0 {2,S}
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4 H u0 p0 c0 {1,S}
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He
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1 He u0 p1 c0
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C
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multiplicity 5
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1 C u4 p0 c0
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CH
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multiplicity 4
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1 C u3 p0 c0 {2,S}
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2 H u0 p0 c0 {1,S}
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CO
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1 C u0 p1 c-1 {2,T}
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2 O u0 p1 c+1 {1,T}
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H
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multiplicity 2
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1 H u1 p0 c0
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O
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multiplicity 3
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1 O u2 p2 c0
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CH3CHO
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1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S}
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2 C u0 p0 c0 {1,S} {6,D} {7,S}
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3 H u0 p0 c0 {1,S}
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4 H u0 p0 c0 {1,S}
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5 H u0 p0 c0 {1,S}
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6 O u0 p2 c0 {2,D}
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7 H u0 p0 c0 {2,S}
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C2H6
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1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S}
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2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S}
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3 H u0 p0 c0 {1,S}
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4 H u0 p0 c0 {1,S}
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5 H u0 p0 c0 {1,S}
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6 H u0 p0 c0 {2,S}
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7 H u0 p0 c0 {2,S}
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8 H u0 p0 c0 {2,S}
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N2
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1 N u0 p1 c0 {2,T}
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2 N u0 p1 c0 {1,T}
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CH3O
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multiplicity 2
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1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S}
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2 O u0 p2 c0 {1,S} {6,S}
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3 H u0 p0 c0 {1,S}
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4 H u0 p0 c0 {1,S}
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5 H u0 p0 c0 {1,S}
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6 O u1 p2 c0 {2,S}
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166+
C2H3
167+
multiplicity 2
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1 C u0 p0 c0 {2,D} {3,S} {4,S}
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2 C u1 p0 c0 {1,D} {5,S}
170+
3 H u0 p0 c0 {1,S}
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4 H u0 p0 c0 {1,S}
172+
5 H u0 p0 c0 {2,S}
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174+
HCO
175+
multiplicity 2
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1 C u1 p0 c0 {2,D} {3,S}
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2 O u0 p2 c0 {1,D}
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3 H u0 p0 c0 {1,S}
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180+
CO2
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1 C u0 p0 c0 {2,D} {3,D}
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2 O u0 p2 c0 {1,D}
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3 O u0 p2 c0 {1,D}
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185+
OH
186+
multiplicity 2
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1 O u1 p2 c0 {2,S}
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2 H u0 p0 c0 {1,S}
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H2
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1 H u0 p0 c0 {2,S}
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2 H u0 p0 c0 {1,S}
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H2CC
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1 C u0 p0 c0 {2,D} {3,S} {4,S}
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2 C u0 p1 c0 {1,D}
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3 H u0 p0 c0 {1,S}
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4 H u0 p0 c0 {1,S}
199+
200+
H2O
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1 O u0 p2 c0 {2,S} {3,S}
202+
2 H u0 p0 c0 {1,S}
203+
3 H u0 p0 c0 {1,S}
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205+
Ar
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1 Ar u0 p4 c0
207+
208+
C2H5
209+
multiplicity 2
210+
1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S}
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2 C u1 p0 c0 {1,S} {6,S} {7,S}
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3 H u0 p0 c0 {1,S}
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4 H u0 p0 c0 {1,S}
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5 H u0 p0 c0 {1,S}
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6 H u0 p0 c0 {2,S}
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7 H u0 p0 c0 {2,S}
217+
218+
CH2CO
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1 C u0 p0 c0 {2,D} {3,S} {4,S}
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2 C u0 p0 c0 {1,D} {5,D}
221+
3 H u0 p0 c0 {1,S}
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4 H u0 p0 c0 {1,S}
223+
5 O u0 p2 c0 {2,D}
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