30 288 290 292 294 296 298 300 302 304 412 Amidation, 12C 25.6655 33.5043 33.9835 47.4462 52.4190 55.0793 57.4106 70.5127 79.9087 89.3846 127.6045 135.7984 137.4879 144.1578 150.2558 168.1404 223.0113 252.5619 253.6054 329.3913 480.0900 486.1307 579.7915 580.4745 626.1925 629.9953 670.1920 676.2309 938.6399 941.0601 996.5696 1003.3665 1036.3054 1037.2841 1057.2187 1057.2666 1057.7801 1059.6611 1074.7461 1074.8133 1324.8926 1328.5256 1362.5433 1366.5596 1379.4362 1380.0925 1459.8066 1461.6538 1467.5970 1468.1869 1475.7414 1476.5898 1491.9034 1492.5694 1504.1089 1504.6566 1512.3183 1514.0335 1590.7735 1608.2890 1644.1987 1649.7925 1706.2383 1719.5238 1720.2462 1732.0973 2642.1536 2710.1456 2738.5787 2757.5793 3076.3827 3076.3866 3105.6666 3106.0062 3150.7233 3150.7285 3181.5919 3181.6045 3194.2321 3194.2531 3203.7412 3203.9450 3581.5026 3581.6679 Amidation, 13C 25.6501 33.5037 33.9833 47.4346 52.4064 55.0410 57.3640 70.5043 79.7376 89.3376 127.5527 135.7927 137.4693 144.0009 150.1914 168.0397 222.7958 252.2090 253.5284 329.1768 479.2009 485.3614 579.6548 580.4338 617.5290 628.4142 668.9913 675.4992 932.8927 940.0348 996.5571 1003.2159 1036.3033 1037.2796 1056.6119 1057.2336 1057.7790 1059.6303 1062.5785 1074.7798 1324.7461 1328.5234 1362.5272 1366.5573 1375.3617 1379.8063 1436.4604 1460.8063 1464.5687 1467.8842 1475.6490 1476.5377 1487.8068 1492.2358 1503.9617 1504.0975 1512.2882 1514.0320 1559.6944 1602.0214 1643.9672 1649.5272 1703.8250 1719.5039 1720.2218 1731.9892 2641.4539 2710.1115 2738.2878 2757.5720 3076.3764 3076.3851 3105.6666 3106.0062 3150.7205 3150.7272 3181.5842 3181.6010 3194.2320 3194.2531 3203.7410 3203.9450 3581.5021 3581.6679 Amidation, 12C TS -542.1804 38.1948 43.7376 45.4231 63.9888 83.1455 104.5664 114.4158 121.5707 133.6596 148.4994 166.6902 183.7745 205.5183 229.2836 245.5487 271.4602 307.3018 320.8296 373.4778 464.6610 485.7625 518.9956 557.0800 587.1551 630.4047 652.8172 670.9434 806.1733 824.9595 854.4834 942.7100 975.2086 1013.9363 1030.4991 1037.8922 1057.7272 1063.6866 1072.3646 1078.5274 1105.5551 1138.3964 1160.9227 1207.6714 1352.0866 1364.1768 1380.6440 1388.6169 1412.9122 1435.4869 1460.5570 1471.5018 1476.1535 1486.2509 1489.6726 1491.6176 1493.2401 1505.8581 1515.6720 1517.1801 1528.7857 1564.1718 1631.7906 1638.6333 1672.2970 1696.8017 1768.5053 2710.9712 3051.9449 3078.5955 3085.4769 3090.3679 3122.4712 3142.2265 3151.5462 3167.2748 3172.8351 3176.7840 3182.9757 3184.1471 3208.0205 3413.1995 3593.8715 3926.0400 Per-epoxidation of propene, TS, d3 -535.4699 38.1935 43.7253 45.4183 63.9828 83.1156 104.4195 114.3683 121.4764 133.5501 148.4979 166.5900 183.7679 205.2275 229.2056 245.4638 271.1929 307.2721 320.2605 373.0729 464.0989 485.7006 517.4261 551.5520 584.4718 630.4017 652.6673 670.9147 805.4172 824.4155 853.5131 942.6770 975.0250 1013.9036 1029.8002 1037.8833 1056.8977 1063.3623 1071.7236 1078.4032 1100.5641 1134.5318 1160.4636 1206.8887 1347.1710 1356.5260 1380.3669 1384.1138 1388.7021 1431.5541 1460.4655 1471.1264 1475.6994 1485.9567 1488.5738 1490.2903 1492.7474 1505.3376 1515.6492 1516.8502 1527.7682 1556.0455 1626.3414 1636.9932 1665.1201 1696.4580 1768.2382 2710.6814 3051.9358 3078.5955 3085.4686 3090.3678 3122.4707 3142.2241 3151.5462 3167.2742 3172.8270 3176.7840 3182.9757 3184.1470 3208.0153 3413.1925 3593.8714 3926.0383 30 288 290 292 294 296 298 300 302 304 412 Amidation, 16O 25.6655 33.5043 33.9835 47.4462 52.4190 55.0793 57.4106 70.5127 79.9087 89.3846 127.6045 135.7984 137.4879 144.1578 150.2558 168.1404 223.0113 252.5619 253.6054 329.3913 480.0900 486.1307 579.7915 580.4745 626.1925 629.9953 670.1920 676.2309 938.6399 941.0601 996.5696 1003.3665 1036.3054 1037.2841 1057.2187 1057.2666 1057.7801 1059.6611 1074.7461 1074.8133 1324.8926 1328.5256 1362.5433 1366.5596 1379.4362 1380.0925 1459.8066 1461.6538 1467.5970 1468.1869 1475.7414 1476.5898 1491.9034 1492.5694 1504.1089 1504.6566 1512.3183 1514.0335 1590.7735 1608.2890 1644.1987 1649.7925 1706.2383 1719.5238 1720.2462 1732.0973 2642.1536 2710.1456 2738.5787 2757.5793 3076.3827 3076.3866 3105.6666 3106.0062 3150.7233 3150.7285 3181.5919 3181.6045 3194.2321 3194.2531 3203.7412 3203.9450 3581.5026 3581.6679 Amidation, 18O 25.6417 33.4950 33.9775 47.0965 51.8028 55.0097 57.0089 70.2573 79.2536 88.7740 127.1487 135.7573 137.3752 143.3468 150.1407 167.6336 222.1651 251.3867 253.3517 328.7247 474.5980 484.0677 579.1076 580.2522 623.4275 628.9178 663.1820 674.1950 925.1569 939.9199 996.5596 1002.8964 1034.3353 1036.9003 1057.1782 1057.2502 1057.7491 1059.4386 1073.7964 1074.7804 1324.8697 1328.5119 1362.5267 1366.5055 1377.0288 1379.8158 1448.8821 1460.8152 1467.5784 1468.1367 1475.7231 1476.5459 1490.0802 1492.2633 1504.1023 1504.5608 1512.2994 1514.0332 1584.9763 1605.0436 1644.1302 1649.7444 1705.3684 1719.4625 1720.2236 1732.0593 2641.8743 2710.1282 2738.4656 2757.5698 3076.3826 3076.3866 3105.6666 3106.0062 3150.7233 3150.7285 3181.5910 3181.6037 3194.2321 3194.2531 3203.7411 3203.9450 3581.5023 3581.6678 Amidation, 16O TS -542.1804 38.1948 43.7376 45.4231 63.9888 83.1455 104.5664 114.4158 121.5707 133.6596 148.4994 166.6902 183.7745 205.5183 229.2836 245.5487 271.4602 307.3018 320.8296 373.4778 464.6610 485.7625 518.9956 557.0800 587.1551 630.4047 652.8172 670.9434 806.1733 824.9595 854.4834 942.7100 975.2086 1013.9363 1030.4991 1037.8922 1057.7272 1063.6866 1072.3646 1078.5274 1105.5551 1138.3964 1160.9227 1207.6714 1352.0866 1364.1768 1380.6440 1388.6169 1412.9122 1435.4869 1460.5570 1471.5018 1476.1535 1486.2509 1489.6726 1491.6176 1493.2401 1505.8581 1515.6720 1517.1801 1528.7857 1564.1718 1631.7906 1638.6333 1672.2970 1696.8017 1768.5053 2710.9712 3051.9449 3078.5955 3085.4769 3090.3679 3122.4712 3142.2265 3151.5462 3167.2748 3172.8351 3176.7840 3182.9757 3184.1471 3208.0205 3413.1995 3593.8715 3926.0400 Amidation,, TS, 18O -531.9690 38.0585 43.4919 45.3253 63.8840 82.7340 104.2136 114.1560 121.0773 133.6392 148.1951 164.4120 183.6552 205.0096 228.5404 244.6808 270.2186 306.4110 319.3617 365.3560 461.2231 485.0065 517.5863 552.7704 585.7745 630.3234 651.0387 670.9097 801.1221 823.5060 854.1130 942.7044 972.2973 1013.8453 1030.4857 1037.8719 1057.6144 1063.6628 1072.2289 1078.4802 1105.1978 1138.3598 1160.8960 1207.6490 1351.9783 1363.8902 1380.6436 1388.5796 1412.8807 1435.4660 1460.5567 1471.5002 1476.1530 1486.2401 1489.6700 1491.6139 1493.2354 1505.8554 1515.6660 1517.1588 1528.7819 1564.1406 1631.7500 1638.4515 1672.1980 1696.7320 1767.6316 2710.9513 3051.9447 3078.5955 3085.4768 3090.3679 3122.4712 3142.2195 3151.5462 3167.2748 3172.8346 3176.7839 3182.9757 3184.1470 3208.0203 3413.1967 3593.8712 3913.3129 0 288 298 300 310 320 330 340 350 360 370