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nyeenyee
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Merge pull request #127 from alongd/FFCM-1
Added the FFCM-1 library (kinetic + thermo)
2 parents 552cd5d + 02215a7 commit ff812a5

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

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Ar
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1 Ar u0 p4 c0
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He
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1 He u0 p1 c0
6+
7+
N2
8+
1 N u0 p1 c0 {2,T}
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2 N u0 p1 c0 {1,T}
10+
11+
H2
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1 H u0 p0 c0 {2,S}
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2 H u0 p0 c0 {1,S}
14+
15+
H
16+
multiplicity 2
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1 H u1 p0 c0
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19+
O
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multiplicity 3
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1 O u2 p2 c0
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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}
27+
28+
OH
29+
multiplicity 2
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1 O u1 p2 c0 {2,S}
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2 H u0 p0 c0 {1,S}
32+
33+
H2O
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1 O u0 p2 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}
37+
38+
HO2
39+
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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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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50+
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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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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C
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multiplicity 5
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1 C u4 p0 c0
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63+
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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68+
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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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}
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3 H u0 p0 c0 {1,S}
78+
79+
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}
85+
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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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93+
HCO
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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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99+
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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105+
CH2OH
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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 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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113+
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 u1 p2 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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121+
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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C2H
130+
multiplicity 2
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1 C u1 p0 c0 {2,T}
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2 C u0 p0 c0 {1,T} {3,S}
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3 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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141+
C2H3
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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}
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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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149+
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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C2H5
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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,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}
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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}
176+
177+
HCCO
178+
multiplicity 2
179+
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}
183+
184+
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}
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3 H u0 p0 c0 {1,S}
188+
4 H u0 p0 c0 {1,S}
189+
5 O u0 p2 c0 {2,D}
190+
191+
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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200+
CH3CHO
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1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S}
202+
2 C u0 p0 c0 {1,S} {6,D} {7,S}
203+
3 H u0 p0 c0 {1,S}
204+
4 H u0 p0 c0 {1,S}
205+
5 H u0 p0 c0 {1,S}
206+
6 O u0 p2 c0 {2,D}
207+
7 H u0 p0 c0 {2,S}
208+
209+
CH3CO
210+
multiplicity 2
211+
1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S}
212+
2 C u1 p0 c0 {1,S} {6,D}
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3 H u0 p0 c0 {1,S}
214+
4 H u0 p0 c0 {1,S}
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5 H u0 p0 c0 {1,S}
216+
6 O u0 p2 c0 {2,D}
217+
218+
H2CC
219+
multiplicity 3
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1 C u0 p0 c0 {2,D} {3,S} {4,S}
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2 C u2 p0 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}
224+

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