1. SCH-X; X =F, Cl,Br,I Summary: K(eq->ax) (vs T) ax) >(vs T)  G # (eq->#) references

2. DNMR evaluation SCH-X; X =F, Cl,Br,I Summary: K(eq->ax) (vs T) ax) >(vs T)  G # (eq->#) References DNMR simulations: Figs for publications SCH-X; C3-C5:

3. Comp./ X in SCH-X Measured Temp. Range/K K (eq- >ax)  G (eq->ax)/ kcal/mol T fyrir  G (eq->ax)/ K Average  G#(eq- >#) In temp. range kcal/mol References F110 - 130 1.79-0.13(2)1125.1 https://notendur.hi.is/agust/r annsoknir/papers/organom26 -6544-07.pdf Cl107 - 150 4.88-0.35(6)1135.3 https://notendur.hi.is/agust/r annsoknir/SCH/July12/SCH-Cl- Sp.%20vs%20T-150712.ppthttps://notendur.hi.is/agust/r annsoknir/SCH/July12/SCH-Cl- Sp.%20vs%20T-150712.ppt & https://notendur.hi.is/agust/r annsoknir/SCH/July12/SCH-X- Sp.%20vs%20T-150712.xls https://notendur.hi.is/agust/r annsoknir/SCH/July12/SCH-X- Sp.%20vs%20T-150712.xls Br110 - 150 5.99-0.40(3)1135.4 https://notendur.hi.is/agust/r annsoknir/SCH/July12/SCH- Br-Sp.%20vs%20T-160712.ppt https://notendur.hi.is/agust/r annsoknir/SCH/July12/SCH- Br-Sp.%20vs%20T-160712.ppt & https://notendur.hi.is/agust/r annsoknir/SCH/July12/SCH-X- Sp.%20vs%20T-150712.xls https://notendur.hi.is/agust/r annsoknir/SCH/July12/SCH-X- Sp.%20vs%20T-150712.xls I113 - 132 5.99-0.40(3)1135.4 https://notendur.hi.is/agust/r annsoknir/SCH/July12/SCH-I- Sp.%20vs%20T-160712.ppthttps://notendur.hi.is/agust/r annsoknir/SCH/July12/SCH-I- Sp.%20vs%20T-160712.ppt & https://notendur.hi.is/agust/r annsoknir/SCH/July12/SCH-X- Sp.%20vs%20T-150712.xls https://notendur.hi.is/agust/r annsoknir/SCH/July12/SCH-X- Sp.%20vs%20T-150712.xls

4. DNMR simulations: Figs for publications SCH-X; C3-C5:

5. k eq,ax (s -1 ) Calc.Exp. T(K)  ppm X=Cl: https://notendur.hi.is/agust/rannsoknir/SCH/July12/SCH-Cl-Sp.%20vs%20T-150712.ppt 144 134 127 122 116 108 25000 4300 990 610 270 130

6. 270 610 990 4300 25000 k eq,ax /s -1 Calc.Exp. T(K) 108 116 122 127 134 144 OR in color / X=Cl: https://notendur.hi.is/agust/rannsoknir/SCH/July12/SCH-Cl-Sp.%20vs%20T-150712.ppt  ppm

7. k eq,ax (s -1 ) Calc.Exp. T(K) 150 141 123 117 113 110 38000 10000 520 260 170 130 https://notendur.hi.is/agust/rannsoknir/SCH/July12/SCH-Br-T-080812.pxphttps://notendur.hi.is/agust/rannsoknir/SCH/July12/SCH-Br-T-080812.pxp Lay:,2 Gr:2 X=Br:  ppm

8. X=I: k eq,ax (s -1 ) Calc. Exp. T(K) 132 128 124 120 116 113 1100 900 540 320 250 290  ppm https://notendur.hi.is/agust/rannsoknir/SCH/July12/SCH-I-T-080812.pxphttps://notendur.hi.is/agust/rannsoknir/SCH/July12/SCH-I-T-080812.pxp Lay: 2 Gr:2