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BibTeX entry
@Article{Martin:1991:CCM,
author = "J. M. L. Martin and J. P. Fran{\c{c}}ois and R.
Gijbels",
title = "A critical comparison of {MINDO/3}, {MNDO}, {AM1}, and
{PM3} for a model problem: {Carbon} clusters
{C$_2$--C$_{10}$}. {An} ad hoc reparametrization of
{MNDO} well suited for the accurate prediction of their
spectroscopic constants",
journal = j-J-COMPUT-CHEM,
volume = "12",
number = "1",
pages = "52--70",
month = jan,
year = "1991",
CODEN = "JCCHDD",
DOI = "https://doi.org/10.1002/jcc.540120107",
ISSN = "0192-8651 (print), 1096-987X (electronic)",
ISSN-L = "0192-8651",
bibdate = "Thu Nov 29 14:54:12 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 = "7 Sep 2004",
}
Related entries
- $_2$,
11(1)1,
11(5)576,
11(7)765,
11(8)924,
12(5)565,
12(6)705,
12(6)717,
12(9)1047,
12(10)1237,
13(2)142,
13(4)423,
13(6)718,
13(9)1037,
13(9)1066,
14(11)1326,
14(12)1491,
15(3)346,
15(10)1176,
15(12)1341,
16(4)465,
16(5)576,
16(6)768,
16(8)1027,
17(1)42,
17(7)821,
17(7)835,
17(8)919,
17(9)1163,
17(11)1339,
18(9)1124,
18(9)1167,
18(14)1792,
19(11)1205,
19(15)1698,
20(1)70,
20(8)772,
20(10)989,
20(11)1138,
20(12)1281,
20(13)1343,
20(13)1432
- accurate,
11(8)909,
12(10)1187,
13(7)883,
13(9)1103,
15(2)200,
16(6)681,
16(7)791,
17(12)1431,
17(14)1612,
18(7)955,
18(9)1200,
18(12)1546,
18(13)1682,
19(13)1456,
20(4)443
- AM1,
11(1)94,
11(2)159,
11(3)269,
11(4)541,
11(4)543,
11(5)644,
11(8)909,
11(9)1009,
11(9)1094,
12(1)17,
12(1)126,
12(1)135,
12(2)200,
12(3)350,
12(5)536,
12(5)584,
12(6)742,
12(10)1278,
13(5)640,
13(6)681,
13(7)821,
14(5)503,
14(8)895,
14(9)1101,
14(12)1545,
15(2)132,
15(2)200,
15(10)1139,
16(3)378,
18(9)1136
- C,
12(9)1047,
12(9)1129,
12(9)1157,
13(4)423,
13(8)935,
13(8)997,
15(7)733,
16(4)478,
17(7)905,
17(12)1387,
17(14)1624,
18(3)330,
19(2)181,
19(2)189,
19(8)858,
20(8)772,
20(8)845,
20(12)1220,
20(12)1304,
20(13)1412,
20(15)1671
- carbon,
12(9)1134,
12(10)1265,
13(4)443,
13(5)541,
15(6)580,
18(1)80,
18(10)1253
- cluster,
11(1)67,
12(9)1097,
13(7)867,
14(6)667,
14(6)680,
14(10)1142,
14(11)1326,
14(12)1423,
14(12)1468,
14(12)1534,
15(6)633,
15(8)899,
16(9)1131,
16(11)1315,
17(8)1056,
18(4)562,
18(5)702,
18(9)1233,
18(10)1295,
18(14)1695,
18(16)2040,
19(1)60,
19(2)203,
20(2)253,
20(7)679,
20(11)1145,
20(16)1752
- comparison,
11(1)32,
11(2)159,
11(4)541,
11(4)543,
11(9)1021,
12(1)119,
12(2)172,
12(2)200,
12(3)292,
12(4)417,
12(6)742,
12(8)959,
12(9)1134,
13(1)41,
13(4)525,
13(5)640,
13(7)793,
14(1)75,
14(4)401,
14(4)438,
14(4)478,
14(5)620,
14(6)736,
14(7)790,
14(8)899,
14(8)922,
14(9)1085,
14(9)1101,
14(10)1149,
14(11)1281,
14(12)1498,
14(12)1504,
15(1)12,
15(8)875,
15(10)1176,
15(11)1228,
16(3)385,
16(6)777,
16(8)973,
16(9)1067,
16(12)1543,
16(12)1554,
17(2)185,
17(2)250,
17(4)429,
17(7)841,
17(7)888,
17(9)1142,
17(11)1296,
17(13)1508,
17(14)1653,
17(15)1696,
17(15)1757,
18(1)108,
18(1)115,
18(2)169,
18(4)449,
18(4)562,
18(7)902,
18(7)920,
18(8)1011,
18(8)1043,
18(8)1072,
18(9)1136,
18(13)1609,
19(3)308,
19(4)377,
19(11)1294,
19(14)1596,
20(2)244,
20(2)274,
20(4)383,
20(11)1177,
20(12)1299,
20(13)1329,
20(13)1343,
20(13)1379
- constant,
11(1)88,
11(9)1009,
12(2)141,
12(3)391,
12(5)536,
12(6)761,
12(9)1125,
13(9)1103,
13(9)1142,
14(6)751,
14(12)1553,
15(11)1291,
16(4)449,
16(8)923,
18(10)1253,
18(13)1664,
18(16)2050,
19(2)181,
19(9)1039,
19(10)1187,
20(5)531,
20(13)1391,
20(13)1412,
20(16)1685
- critical,
11(4)493,
13(7)912,
13(10)1234,
14(7)790,
14(11)1313,
18(9)1175,
18(14)1695,
20(16)1740
- Martin, J. M. L.,
11(3)269
- MINDO/3,
11(1)94,
11(3)269,
12(5)536,
13(6)681
- MNDO,
11(1)94,
11(3)269,
11(4)416,
11(8)909,
11(9)1009,
12(1)126,
12(5)536,
13(5)640,
13(6)681,
14(1)37,
14(7)775,
15(2)183,
16(3)378,
16(5)563,
17(11)1318,
20(12)1220
- model,
0(0)xvii--493,
11(2)266,
11(5)560,
11(6)734,
11(8)899,
11(8)924,
11(8)994,
12(5)635,
12(7)784,
12(7)792,
12(7)899,
12(10)1187,
13(2)115,
13(2)199,
13(6)704,
13(7)793,
13(7)810,
13(7)883,
13(8)952,
13(9)1089,
13(9)1109,
14(1)19,
14(1)89,
14(3)253,
14(3)263,
14(5)503,
14(6)667,
14(6)680,
14(7)775,
14(8)970,
14(10)1149,
14(10)1250,
14(12)1423,
14(12)1534,
15(7)719,
15(10)1064,
16(1)1,
16(1)20,
16(2)188,
16(2)243,
16(3)385,
16(4)422,
16(4)486,
16(4)501,
16(5)628,
16(6)705,
16(6)777,
16(8)1027,
16(9)1081,
16(9)1164,
16(10)1181,
16(12)1468,
16(12)1543,
17(2)148,
17(2)204,
17(7)757,
17(7)821,
17(7)841,
17(8)1056,
17(9)1099,
17(10)1229,
17(14)1633,
17(15)1757,
18(1)108,
18(2)198,
18(4)562,
18(8)1061,
18(12)1496,
18(13)1632,
18(13)1647,
18(13)1668,
18(16)2075,
19(3)290,
19(4)396,
19(4)404,
19(7)754,
19(7)769,
19(8)833,
19(8)847,
19(8)977,
19(15)1675,
20(3)322,
20(3)354,
20(6)579,
20(9)897,
20(9)928,
20(9)956,
20(11)1145,
20(11)1186,
20(12)1292,
20(12)1299,
20(13)1379,
20(14)1533,
20(16)1693,
20(16)1702
- PM3,
11(4)541,
11(4)543,
11(9)1009,
12(1)126,
12(2)200,
12(3)320,
12(5)536,
12(6)675,
13(5)640,
13(9)1089,
14(1)89,
14(8)895,
14(11)1301,
14(11)1326,
15(2)132,
15(10)1064,
16(3)378,
16(5)563,
18(9)1136,
20(4)396
- prediction,
11(1)121,
13(10)1171,
14(4)422,
14(8)899,
14(11)1333,
15(5)488,
16(4)449,
16(7)914,
16(8)923,
17(14)1667,
17(15)1712,
18(3)323,
18(4)463,
18(8)1036,
19(4)459,
19(5)548,
19(7)716,
19(7)741,
20(8)799,
20(11)1112,
20(11)1130
- problem,
12(2)237,
12(6)746,
12(10)1243,
13(10)1199,
14(4)452,
14(5)549,
14(11)1333,
15(1)105,
15(6)627,
15(8)858,
16(6)729,
16(9)1131,
16(12)1449,
17(2)133,
17(8)1002,
17(9)1085,
17(13)1497,
18(7)920,
18(15)1943,
20(14)1455
- spectroscopic,
12(5)611,
14(5)579,
18(10)1312
- well,
15(2)125