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BibTeX entry
@Article{Boyd:1988:NST,
author = "Donald B. Boyd and David W. Smith and James J. P.
Stewart and Erich Wimmer",
title = "Numerical sensitivity of trajectories across
conformational energy hypersurfaces from geometry
optimized molecular orbital calculations: {AM1},
{MNDO}, and {MINDO/3}",
journal = j-J-COMPUT-CHEM,
volume = "9",
number = "4",
pages = "387--398",
month = jun,
year = "1988",
CODEN = "JCCHDD",
DOI = "https://doi.org/10.1002/jcc.540090414",
ISSN = "0192-8651 (print), 1096-987X (electronic)",
ISSN-L = "0192-8651",
bibdate = "Thu Nov 29 14:54:04 MST 2012",
bibsource = "http://www.interscience.wiley.com/jpages/0192-8651;
http://www.math.utah.edu/pub/tex/bib/jcomputchem1980.bib",
acknowledgement = ack-nhfb,
fjournal = "Journal of Computational Chemistry",
journal-URL = "http://www.interscience.wiley.com/jpages/0192-8651",
onlinedate = "7 Sep 2004",
}
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- AM1,
9(3)212,
9(4)369,
10(1)94,
10(2)163,
10(4)449
- Boyd, Donald B.,
2(3)324
- conformational,
1(1)46,
1(2)134,
1(2)141,
1(2)192,
1(3)301,
2(1)20,
2(1)63,
2(4)384,
2(4)410,
2(4)460,
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3(3)400,
3(4)471,
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3(4)603,
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4(4)461,
4(4)494,
5(2)122,
5(2)175,
5(2)200,
5(4)291,
5(4)343,
5(5)451,
5(6)548,
5(6)571,
6(1)61,
6(3)216,
6(5)401,
6(6)625,
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7(2)189,
7(3)345,
7(4)482,
7(4)513,
7(6)711,
8(1)28,
8(5)625,
8(5)651,
8(7)972,
8(8)1075,
9(1)67,
9(3)189,
9(4)315,
9(4)343,
9(4)441,
9(6)684,
9(8)851,
10(3)407,
10(6)770,
10(7)903
- energy,
1(1)30,
1(1)59,
1(2)134,
1(2)141,
1(3)266,
1(4)373,
2(1)63,
2(2)149,
2(3)287,
2(3)334,
2(3)356,
2(4)460,
3(1)23,
3(1)28,
3(1)53,
3(2)154,
3(2)165,
3(2)178,
3(3)283,
3(3)372,
3(3)400,
3(3)417,
3(4)471,
3(4)552,
4(1)33,
4(2)187,
4(3)308,
4(4)506,
5(2)197,
5(4)307,
5(4)336,
5(4)374,
5(4)381,
5(5)480,
5(6)528,
5(6)548,
5(6)589,
5(6)598,
6(1)5,
6(2)116,
6(3)157,
6(3)189,
6(4)312,
6(5)377,
6(5)432,
6(6)652,
7(1)13,
7(1)20,
7(1)30,
7(3)334,
7(3)379,
7(4)523,
7(4)539,
7(5)591,
7(5)648,
7(5)693,
8(1)81,
8(2)132,
8(3)204,
8(3)272,
8(4)282,
8(5)625,
8(5)651,
8(6)810,
8(6)826,
8(7)972,
8(7)1016,
8(7)1025,
8(8)1075,
8(8)1199,
9(1)63,
9(2)158,
9(4)441,
9(5)488,
9(5)518,
9(5)522,
9(6)600,
9(6)650,
9(8)810,
9(8)861,
10(1)55,
10(1)63,
10(2)152,
10(2)163,
10(4)520,
10(5)603,
10(5)616,
10(5)733,
10(6)856,
10(7)875,
10(8)1016,
10(8)1031
- geometry,
1(2)167,
1(4)373,
2(1)63,
2(2)149,
2(4)478,
3(2)178,
3(2)214,
3(3)283,
3(4)603,
4(2)142,
4(2)252,
4(4)482,
5(1)84,
5(4)314,
5(4)381,
5(5)411,
6(1)61,
6(5)377,
8(5)563,
9(1)11,
9(5)495,
10(3)302,
10(7)939
- hypersurface,
9(8)810
- MINDO/3,
7(2)93,
7(4)417,
8(2)142,
9(4)416,
10(4)449
- MNDO,
2(4)433,
3(3)445,
4(1)84,
4(2)158,
4(4)542,
4(4)594,
5(1)35,
5(3)230,
5(4)358,
5(5)480,
5(6)598,
6(5)437,
7(2)93,
7(2)140,
8(2)142,
8(6)835,
8(8)1154,
8(8)1170,
9(5)539,
10(4)449,
10(4)568
- numerical,
3(4)604,
8(4)459,
9(6)604,
10(3)358
- optimized,
1(1)36,
5(4)363,
6(4)265,
7(5)673,
8(2)95
- orbital,
1(1)3,
1(1)21,
1(1)69,
1(3)205,
1(3)295,
1(4)358,
2(1)1,
2(1)96,
2(1)100,
2(1)108,
2(2)188,
2(2)200,
2(3)278,
2(4)416,
2(4)422,
3(1)6,
3(2)130,
3(2)260,
3(3)436,
3(4)552,
4(2)226,
4(2)241,
4(2)252,
4(2)276,
4(4)563,
5(2)200,
5(3)217,
5(4)395,
5(5)500,
6(1)76,
6(2)142,
6(3)237,
6(4)282,
6(5)343,
6(5)462,
7(3)359,
7(3)379,
8(6)861,
8(6)880,
8(8)1084,
9(4)356,
9(4)362,
9(6)604,
9(7)801,
10(4)468,
10(4)568,
10(5)603,
10(7)928,
10(8)1016
- Stewart, James J. P.,
5(4)358,
8(8)1117,
10(2)209,
10(2)221
- trajectory,
7(2)219,
8(8)1117