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BibTeX entry
@Article{Ford:1989:MMO,
author = "George P. Ford and Christopher T. Smith",
title = "An {MNDO} molecular orbital study of the reactions of
protonated oxirane derivatives {(XCHCH$_2$OH$^+$, X =
CN, Cl, CH$_3$, Ph)} with simple nucleophiles.
{Implications} for regioselectivity in the reactions of
electrophiles with nucleic acid bases",
journal = j-J-COMPUT-CHEM,
volume = "10",
number = "4",
pages = "568--592",
month = jun,
year = "1989",
CODEN = "JCCHDD",
DOI = "https://doi.org/10.1002/jcc.540100413",
ISSN = "0192-8651 (print), 1096-987X (electronic)",
ISSN-L = "0192-8651",
bibdate = "Thu Nov 29 14:54:07 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",
}
Related entries
- $^+$,
2(4)414,
3(2)251,
6(2)116,
6(3)256,
6(6)581,
9(8)819,
10(2)163,
10(3)295
- $_2$,
1(1)59,
1(2)118,
1(2)185,
1(4)307,
2(1)20,
2(1)38,
2(3)261,
3(1)23,
3(2)251,
3(3)283,
4(1)1,
4(3)337,
4(3)350,
4(3)379,
5(4)322,
5(6)640,
6(1)39,
6(2)116,
6(3)189,
6(5)469,
6(6)533,
7(2)208,
7(3)283,
7(3)294,
7(3)306,
7(4)406,
7(4)464,
8(1)6,
8(1)51,
8(4)481,
8(5)663,
8(5)674,
8(5)727,
8(5)736,
8(6)761,
8(6)810,
8(6)850,
8(8)1170,
9(5)443,
9(5)518,
9(5)581,
9(8)836,
9(8)890,
10(1)14,
10(1)55,
10(2)163,
10(4)437,
10(7)928,
10(8)1031
- $_3$,
1(4)307,
2(4)470,
3(2)251,
3(3)283,
4(1)73,
5(1)35,
5(6)517,
5(6)640,
6(2)116,
6(3)182,
6(3)249,
6(6)581,
7(3)283,
7(6)718,
8(5)674,
8(6)810,
10(4)437,
10(5)603,
10(7)928
- =,
1(1)88,
7(3)306,
7(4)464,
8(6)810,
10(2)152,
10(5)603
- acid,
1(2)167,
1(4)417,
2(2)182,
3(3)283,
4(3)366,
5(1)89,
5(3)217,
5(4)363,
5(5)451,
5(5)466,
6(3)173,
7(2)230,
7(3)283,
7(5)591,
7(5)617,
8(2)158,
8(6)794,
9(1)11,
10(1)94,
10(6)770
- base,
4(4)594,
5(4)381,
6(1)5,
6(3)168,
6(4)296,
6(6)520,
7(3)259,
7(3)380,
8(5)604,
9(4)362
- CH,
1(1)59,
2(4)470,
3(2)251,
4(1)1,
5(6)517,
6(6)581,
7(4)464,
7(6)718,
10(4)437
- Cl,
1(1)59,
2(1)20,
2(1)108,
7(6)718,
10(5)603
- CN,
2(1)12
- derivative,
3(2)178,
4(2)170,
5(6)507,
6(4)302,
9(8)905,
10(1)63,
10(4)552,
10(6)856
- Ford, George P.,
4(4)594
- implication,
10(1)35,
10(2)186,
10(4)520
- 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(4)387,
9(5)539,
10(4)449
- nucleic,
4(3)366,
5(1)89,
5(4)363,
7(2)230,
7(5)591,
7(5)617
- OH,
1(2)118,
2(4)460,
3(4)512,
6(6)581,
8(6)810
- 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(4)387,
9(6)604,
9(7)801,
10(4)468,
10(5)603,
10(7)928,
10(8)1016
- protonated,
1(1)94,
3(1)62,
3(4)477,
10(2)163
- reaction,
1(1)3,
1(2)129,
1(4)323,
2(1)1,
2(3)273,
2(4)402,
3(1)95,
3(2)185,
3(3)283,
3(3)335,
4(4)449,
4(4)488,
5(1)1,
5(3)237,
5(6)598,
5(6)606,
6(1)9,
6(1)68,
6(2)79,
6(5)486,
7(3)283,
7(6)718,
8(5)744,
9(5)465,
9(6)608,
9(7)728,
9(7)779,
10(4)437,
10(7)863
- regioselectivity,
9(6)608
- simple,
1(1)81,
2(1)58,
5(5)427,
6(1)28,
6(2)142,
8(8)1117,
9(4)416,
9(7)764,
10(1)99,
10(5)616
- X,
1(1)88,
1(2)118,
2(1)20,
3(2)251,
6(2)116,
7(3)306,
7(4)464,
8(6)761