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2 Replies
7481 Views |
July 10, 2008, 03:46:50 PMby uwe |
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Printing overlap/fock matrix
Started by Molcasito |
3 Replies
8925 Views |
July 11, 2008, 04:20:57 PM by Molcasito |
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plotting density of open shell
Started by cavallo |
3 Replies
10250 Views |
September 04, 2008, 10:02:22 AM by mpjohans |
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4 Replies
10869 Views |
February 12, 2009, 12:11:43 AM by acapobia |
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x2t convergence factor
Started by klickklack |
1 Replies
8052 Views |
February 25, 2009, 03:17:22 PM by uwe |
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Bond dissociation energy
Started by Morgan |
1 Replies
7851 Views |
April 29, 2009, 09:31:57 AM by andreas |
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WARNING: HOMO-LUMO Gap is negativ
Started by tanguyv |
3 Replies
19885 Views |
June 16, 2009, 10:35:50 AM by tanguyv |
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Faulty wfn files
Started by hmsenn |
8 Replies
15258 Views |
July 11, 2009, 11:37:08 AM by sebastian |
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Fluorescence figure and $exopt add
Started by wuhen |
2 Replies
6538 Views |
September 11, 2009, 03:28:14 PM by wuhen |
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2 Replies
7292 Views |
October 09, 2009, 03:09:34 PM by wuhen |
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MO calculation
Started by wuhen |
2 Replies
6579 Views |
October 23, 2009, 02:17:11 PM by wuhen |
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molecular orbital
Started by wuhen |
2 Replies
6564 Views |
December 12, 2009, 09:54:53 AM by wuhen |
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Error message with tm2molden
Started by lasermichel |
0 Replies
5123 Views |
March 08, 2010, 10:47:31 AM by lasermichel |
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$wfn - 'too many iterations in tqli'
Started by pandaaka |
0 Replies
6494 Views |
March 15, 2010, 04:54:28 PM by pandaaka |
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0 Replies
5224 Views |
March 31, 2010, 11:36:27 AM by evgeniy |
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0 Replies
5473 Views |
March 31, 2010, 04:51:54 PM by evgeniy |
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methods for a quality CD spectrum
Started by jbaltrus |
1 Replies
5892 Views |
July 20, 2010, 05:51:22 PM by christof.haettig |
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MOs decomposition using NBO analysis
Started by Jakub |
1 Replies
6681 Views |
October 25, 2010, 01:23:41 PM by Arnim |
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can't use t2x
Started by jbaltrus |
1 Replies
6412 Views |
November 18, 2010, 06:00:38 PM by christof.haettig |
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Calculation of spin population
Started by sebastian.miranda |
1 Replies
6140 Views |
November 18, 2010, 06:12:23 PM by christof.haettig |
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