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BibTeX entry
@Article{Labanowski:1998:HFO,
author = "Jan Labanowski and Lawrence Schmitz and Kuo-Hsiang
Chen and Norman L. Allinger",
title = "Heats of formation of organic molecules calculated by
density functional theory: {II}. {Alkanes}",
journal = j-J-COMPUT-CHEM,
volume = "19",
number = "12",
pages = "1421--1430",
month = sep,
year = "1998",
CODEN = "JCCHDD",
DOI = "https://doi.org/10.1002/(SICI)1096-987X(199809)19:12<1421::AID-JCC8>3.0.CO;2-K",
ISSN = "0192-8651 (print), 1096-987X (electronic)",
ISSN-L = "0192-8651",
bibdate = "Thu Nov 29 15:11:20 MST 2012",
bibsource = "http://www.interscience.wiley.com/jpages/0192-8651;
http://www.math.utah.edu/pub/tex/bib/jcomputchem1990.bib",
acknowledgement = ack-nhfb,
fjournal = "Journal of Computational Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0192-8651",
onlinedate = "6 Jan 1999",
}
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- alkane,
15(2)162,
15(7)719,
15(10)1121,
16(2)154,
16(5)595,
16(5)610,
20(8)845
- Allinger, Norman L.,
11(7)848,
11(7)868,
12(2)186,
13(7)838,
13(9)1138,
14(1)1,
14(6)655,
14(7)755,
15(3)251,
15(3)283,
15(7)769,
15(12)1446,
17(4)385,
17(5)489,
17(5)642,
17(5)669,
17(5)695,
17(5)730,
17(5)747,
17(7)757,
18(15)1827,
19(5)475,
19(9)1001,
20(15)1593
- calculated,
11(1)94,
11(9)1009,
12(2)200,
12(5)536,
13(2)177,
13(4)429,
14(3)371,
14(12)1460,
15(12)1437,
17(4)429,
17(10)1197,
18(8)1056,
19(7)769,
19(13)1526,
20(16)1685
- density,
11(3)361,
11(6)663,
12(2)220,
12(10)1198,
13(1)70,
13(9)1119,
15(8)875,
15(10)1113,
16(1)113,
16(2)133,
16(2)226,
16(5)576,
16(5)654,
16(8)937,
16(9)1067,
16(11)1315,
16(12)1483,
17(1)19,
17(7)757,
17(7)767,
17(7)835,
17(7)841,
17(8)954,
17(11)1287,
17(11)1309,
17(13)1508,
17(16)1848,
18(1)126,
18(2)260,
18(3)330,
18(3)416,
18(4)489,
18(5)638,
18(6)775,
18(8)980,
18(9)1113,
18(12)1523,
18(12)1534,
18(13)1609,
18(14)1695,
18(15)1943,
18(16)1985,
18(16)2023,
18(16)2075,
19(2)154,
19(3)290,
19(3)308,
19(4)418,
19(9)989,
19(10)1179,
19(12)1337,
19(14)1596,
19(15)1746,
19(16)1887,
19(16)1899,
20(1)1,
20(1)2,
20(1)12,
20(1)23,
20(1)31,
20(1)51,
20(1)63,
20(1)70,
20(1)129,
20(1)155,
20(2)200,
20(2)207,
20(3)365,
20(9)911,
20(12)1292,
20(12)1299,
20(13)1343,
20(14)1517,
36(30)2270
- formation,
11(3)326,
11(7)837,
12(9)1129,
13(7)838,
15(9)981,
15(12)1437,
16(5)654,
17(7)905,
18(14)1773,
20(16)1685
- functional,
12(7)803,
13(1)70,
15(2)162,
15(8)875,
15(9)919,
16(2)226,
16(5)576,
16(5)654,
16(9)1067,
16(11)1315,
16(12)1483,
17(7)757,
17(7)767,
17(7)835,
17(7)841,
17(11)1309,
17(13)1508,
17(16)1848,
18(1)126,
18(2)260,
18(3)330,
18(4)489,
18(6)775,
18(7)849,
18(8)980,
18(12)1523,
18(12)1534,
18(13)1609,
18(14)1695,
18(15)1943,
18(16)1985,
18(16)2075,
19(2)154,
19(3)290,
19(3)300,
19(3)308,
19(4)418,
19(9)989,
19(14)1596,
19(15)1746,
19(16)1887,
19(16)1899,
20(1)1,
20(1)2,
20(1)12,
20(1)23,
20(1)31,
20(1)51,
20(1)63,
20(1)70,
20(1)129,
20(1)155,
20(2)200,
20(2)207,
20(12)1292,
20(12)1299,
20(13)1343,
36(30)2270
- heats,
12(9)1129,
13(7)838,
15(12)1437,
16(5)654
- II,
11(3)410,
12(9)1077,
13(3)329,
13(5)614,
13(7)851,
13(8)935,
13(8)990,
13(9)1098,
14(3)263,
14(4)392,
14(5)522,
14(11)1407,
15(2)162,
15(2)183,
16(5)586,
16(5)610,
16(6)768,
16(12)1543,
17(1)124,
17(3)367,
17(5)520,
17(7)851,
17(8)970,
18(7)874,
18(10)1328,
18(13)1682,
19(4)430,
19(5)548,
19(6)610,
19(8)947,
19(9)1001,
19(9)1030,
19(9)1053,
19(12)1387,
19(16)1853,
19(16)1899,
20(5)546,
20(6)572,
20(11)1130,
20(11)1177
- molecule,
11(1)64,
11(1)67,
11(1)82,
11(1)88,
11(3)396,
11(4)440,
11(5)548,
11(5)629,
11(6)680,
11(7)765,
12(1)17,
12(1)91,
12(2)172,
12(3)342,
12(4)469,
12(4)487,
12(5)546,
12(6)690,
12(8)1033,
13(2)229,
13(3)371,
13(5)595,
13(6)675,
13(7)838,
13(7)901,
13(10)1171,
14(1)89,
14(2)138,
14(3)253,
14(4)478,
14(6)691,
14(9)1050,
14(9)1066,
14(10)1172,
14(10)1240,
14(11)1407,
14(12)1440,
14(12)1482,
14(12)1498,
15(1)80,
15(2)144,
15(2)162,
15(4)377,
15(4)424,
15(4)446,
15(4)466,
15(7)733,
15(9)937,
15(10)1121,
15(10)1139,
15(12)1437,
16(5)576,
16(6)743,
16(8)923,
16(8)1011,
16(8)1038,
16(11)1405,
16(11)1420,
16(12)1483,
17(1)19,
17(7)864,
17(7)910,
17(9)1171,
17(11)1352,
17(14)1645,
18(1)1,
18(2)277,
18(3)343,
18(5)638,
18(6)826,
18(10)1264,
18(11)1344,
18(11)1407,
18(12)1473,
18(12)1496,
18(13)1609,
18(13)1656,
18(16)2075,
19(1)94,
19(5)524,
19(8)893,
19(11)1205,
19(11)1315,
19(13)1526,
19(14)1663,
19(15)1736,
19(16)1834,
19(16)1899,
20(1)155,
20(4)443,
20(6)610,
20(8)760,
20(8)799,
20(10)1028,
20(11)1186
- organic,
11(4)440,
11(4)493,
13(4)468,
13(7)838,
13(10)1171,
14(2)138,
14(4)379,
14(4)422,
14(10)1240,
14(12)1460,
15(12)1437,
16(8)984,
16(12)1483,
16(12)1513,
17(7)806,
18(1)1,
18(12)1496,
19(1)86,
19(2)144,
19(5)512,
19(10)1130,
20(4)396
- theory,
0(0)278,
0(0)331,
2(0)xiii--1462-i,
11(2)266,
11(10)1217,
12(5)560,
12(7)803,
12(9)1134,
13(1)70,
13(6)792,
13(7)901,
14(5)549,
14(6)728,
15(1)90,
15(8)858,
15(9)937,
15(12)1437,
16(3)378,
16(8)984,
16(9)1131,
16(10)1301,
16(11)1315,
16(11)1420,
16(12)1468,
16(12)1483,
17(7)757,
17(7)767,
17(7)841,
18(1)20,
18(2)260,
18(6)775,
18(10)1320,
18(10)1328,
18(15)1943,
19(2)123,
19(2)154,
19(2)250,
19(6)575,
19(6)593,
19(6)610,
19(6)628,
19(9)989,
19(11)1300,
19(13)1553,
19(14)1596,
19(15)1724,
20(1)1,
20(1)12,
20(1)63,
20(1)106,
20(1)114,
20(1)129,
20(1)155,
20(2)274,
20(12)1299,
20(13)1343