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The JetSurF libraries were corrected for [C], [CH], [CH2], [OH] #178

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Merged
KEHANG merged 1 commit into from
Mar 24, 2017
Merged

The JetSurF libraries were corrected for [C], [CH], [CH2], [OH] #178

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10 changes: 5 additions & 5 deletions ...etics/libraries/JetSurF0.2/dictionary.txt → ...etics/libraries/JetSurF2.0/dictionary.txt
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Original file line number Diff line number Diff line change
Expand Up @@ -1393,8 +1393,8 @@ multiplicity 2
16 H u0 p0 c0 {5,S}

C
multiplicity 5
1 C u4 p0 c0
multiplicity 3
1 C u2 p1 c0

C4H2
1 C u0 p0 c0 {2,S} {3,T}
Expand Down Expand Up @@ -2253,8 +2253,8 @@ CH3COCH3
10 O u0 p2 c0 {3,D}

CH
multiplicity 4
1 C u3 p0 c0 {2,S}
multiplicity 2
1 C u1 p1 c0 {2,S}
2 H u0 p0 c0 {1,S}

CO
Expand Down Expand Up @@ -3272,7 +3272,7 @@ C12H24
35 H u0 p0 c0 {12,S}
36 H u0 p0 c0 {12,S}

AR
Ar
1 Ar u0 p4 c0

SXC9H19
Expand Down
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