PES

Click on ellipse to view 3D structure in popup window (run JSmol)
kcal/mol 36 - 35 - 34 - 33 - 32 - 31 - 30 - 29 - 28 - 27 - 26 - 25 - 24 - 23 - 22 - 21 - 20 - 19 - 18 - 17 - 16 - 15 - 14 - 13 - ~ ~ 12 - 10 - 9 - 8 - 7 - ~ ~ 6 - 2 - 1 - 0 - 0.00 kcal J1 0.00 kcal 0.63 kcal I1 0.63 kcal 6.98 kcal M1 6.98 kcal 8.24 kcal P1 8.24 kcal 8.01 kcal TS19b 8.01 kcal 7.56 kcal K2 7.56 kcal 7.60 kcal K1 7.60 kcal 7.59 kcal E1 7.59 kcal 9.16 kcal G2 9.16 kcal 9.45 kcal D2 9.45 kcal 12.76 kcal D1 12.76 kcal 13.58 kcal D3 13.58 kcal 14.08 kcal TS5 14.08 kcal 13.76 kcal TS13 13.76 kcal 15.42 kcal F2 15.42 kcal 15.95 kcal TS19a 15.95 kcal 18.34 kcal H3 18.34 kcal 18.79 kcal G3 18.79 kcal 21.10 kcal G1 21.10 kcal 20.81 kcal A2 20.81 kcal 21.42 kcal B2 21.42 kcal 21.26 kcal TS8 21.26 kcal 20.81 kcal H1 20.81 kcal 22.16 kcal H2 22.16 kcal 21.56 kcal B1 21.56 kcal 23.10 kcal A1 23.10 kcal 24.37 kcal TS20 24.37 kcal 24.35 kcal TS9 24.35 kcal 23.63 kcal L1 23.63 kcal 24.88 kcal TS1 24.88 kcal 24.53 kcal TS21 24.53 kcal 25.46 kcal C 25.46 kcal 26.21 kcal TS6 26.21 kcal 27.13 kcal TS16 27.13 kcal 27.42 kcal TS4 27.42 kcal 26.97 kcal N1 26.97 kcal 27.38 kcal TS15 27.38 kcal 26.83 kcal TS23 26.83 kcal 27.94 kcal TS22 27.94 kcal 28.40 kcal TS12 28.40 kcal 28.86 kcal TS14 28.86 kcal 28.73 kcal TS17 28.73 kcal 28.64 kcal TS7 28.64 kcal 30.35 kcal TS3 30.35 kcal 29.61 kcal TS11 29.61 kcal 32.67 kcal TS18 32.67 kcal 34.68 kcal TS2si 34.68 kcal 35.82 kcal TS10re 35.82 kcal