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BibTeX entry
@Article{Gilardoni:1999:CGE,
author = "F. Gilardoni and J. Weber and A. Hauser and C. Daul",
title = "A comparison of ground- and excited-state properties
of {[Ru(bz)$_2$]$^{2+}$ and
bis($\eta^6$-benzene)ruthenium(II)}
$p$-toluenesulfonate using the density functional
theory",
journal = j-J-COMPUT-CHEM,
volume = "20",
number = "13",
pages = "1343--1353",
month = oct,
year = "1999",
CODEN = "JCCHDD",
DOI = "https://doi.org/10.1002/(SICI)1096-987X(199910)20:13<1343::AID-JCC2>3.0.CO;2-U",
ISSN = "0192-8651 (print), 1096-987X (electronic)",
ISSN-L = "0192-8651",
bibdate = "Thu Nov 29 15:11:25 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 = "31 Aug 1999",
}
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- $^{2+}$,
12(10)1165,
16(7)843,
16(7)856,
17(12)1481,
19(13)1456,
20(13)1379
- $_2$,
11(1)1,
11(5)576,
11(7)765,
11(8)924,
12(1)52,
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)1432
- $p$,
11(1)112,
14(3)285,
17(11)1359
- comparison,
11(1)32,
11(2)159,
11(4)541,
11(4)543,
11(9)1021,
12(1)52,
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)1379
- 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(12)1421,
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(14)1517,
36(30)2270
- excited-state,
20(13)1422
- 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(12)1421,
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,
36(30)2270
- ground,
13(7)901,
13(8)944,
13(8)979,
14(2)186,
14(3)253,
14(5)566,
15(1)54,
15(8)893,
19(10)1130,
20(9)897
- property,
11(1)82,
11(3)351,
11(3)396,
11(4)493,
11(5)644,
12(4)487,
12(5)611,
12(10)1198,
13(2)115,
13(5)551,
13(7)867,
13(7)883,
14(4)379,
14(4)478,
14(12)1468,
15(3)313,
15(9)981,
16(2)133,
17(2)156,
17(3)289,
17(8)1033,
17(10)1258,
17(13)1508,
18(2)182,
18(5)646,
18(6)775,
18(8)980,
18(14)1695,
18(16)2060,
19(11)1205,
20(4)443,
20(7)679,
20(12)1199,
20(13)1444
- state, excited-,
20(13)1422
- 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(12)1421,
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