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atomic electron density
Started by dinos |
1 Replies
7142 Views |
May 10, 2007, 11:08:55 PMby turbomaster |
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0 Replies
7009 Views |
July 14, 2011, 02:51:03 PM by greisen |
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MOs decomposition using NBO analysis
Started by Jakub |
1 Replies
6784 Views |
October 25, 2010, 01:23:41 PM by Arnim |
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MO calculation
Started by wuhen |
2 Replies
6679 Views |
October 23, 2009, 02:17:11 PM by wuhen |
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molecular orbital
Started by wuhen |
2 Replies
6662 Views |
December 12, 2009, 09:54:53 AM by wuhen |
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Fluorescence figure and $exopt add
Started by wuhen |
2 Replies
6634 Views |
September 11, 2009, 03:28:14 PM by wuhen |
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$wfn - 'too many iterations in tqli'
Started by pandaaka |
0 Replies
6608 Views |
March 15, 2010, 04:54:28 PM by pandaaka |
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can't use t2x
Started by jbaltrus |
1 Replies
6520 Views |
November 18, 2010, 06:00:38 PM by christof.haettig |
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1 Replies
6507 Views |
November 17, 2016, 05:21:19 PM by christof.haettig |
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readable RIMP2 spin density
Started by tom77 |
1 Replies
6447 Views |
September 26, 2007, 04:49:44 PM by antti_karttunen |
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0 Replies
6378 Views |
June 06, 2012, 05:16:54 AM by wuhen |
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hyperpolarizability
Started by jtravers |
1 Replies
6280 Views |
April 23, 2019, 11:27:48 AM by Arnim |
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Calculation of spin population
Started by sebastian.miranda |
1 Replies
6245 Views |
November 18, 2010, 06:12:23 PM by christof.haettig |
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Set multiplicity on Turbomole
Started by Glxblt76 |
1 Replies
6240 Views |
April 23, 2019, 11:25:58 AM by Arnim |
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LCAO coefficients
Started by Gopakumar |
0 Replies
6229 Views |
December 13, 2007, 11:37:28 AM by Gopakumar |
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1 Replies
6157 Views |
January 20, 2011, 02:33:01 PM by christof.haettig |
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1 Replies
6092 Views |
November 18, 2010, 06:14:50 PM by christof.haettig |
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wavefunction analysis : CDA etc.
Started by wwwups |
0 Replies
6081 Views |
June 06, 2008, 01:48:49 AM by wwwups |
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methods for a quality CD spectrum
Started by jbaltrus |
1 Replies
5997 Views |
July 20, 2010, 05:51:22 PM by christof.haettig |
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1 Replies
5894 Views |
October 07, 2016, 02:15:27 PM by christof.haettig |
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