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Error message with tm2molden
Started by lasermichel |
0 Replies
5399 Views |
March 08, 2010, 10:47:31 AMby lasermichel |
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molecular orbital
Started by wuhen |
2 Replies
6839 Views |
December 12, 2009, 09:54:53 AM by wuhen |
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MO calculation
Started by wuhen |
2 Replies
6857 Views |
October 23, 2009, 02:17:11 PM by wuhen |
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2 Replies
7572 Views |
October 09, 2009, 03:09:34 PM by wuhen |
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Fluorescence figure and $exopt add
Started by wuhen |
2 Replies
6796 Views |
September 11, 2009, 03:28:14 PM by wuhen |
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Faulty wfn files
Started by hmsenn |
8 Replies
15577 Views |
July 11, 2009, 11:37:08 AM by sebastian |
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WARNING: HOMO-LUMO Gap is negativ
Started by tanguyv |
3 Replies
20216 Views |
June 16, 2009, 10:35:50 AM by tanguyv |
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Bond dissociation energy
Started by Morgan |
1 Replies
8122 Views |
April 29, 2009, 09:31:57 AM by andreas |
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x2t convergence factor
Started by klickklack |
1 Replies
8335 Views |
February 25, 2009, 03:17:22 PM by uwe |
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4 Replies
11171 Views |
February 12, 2009, 12:11:43 AM by acapobia |
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plotting density of open shell
Started by cavallo |
3 Replies
10546 Views |
September 04, 2008, 10:02:22 AM by mpjohans |
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Printing overlap/fock matrix
Started by Molcasito |
3 Replies
9202 Views |
July 11, 2008, 04:20:57 PM by Molcasito |
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2 Replies
7775 Views |
July 10, 2008, 03:46:50 PM by uwe |
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questions on t2x
Started by zhangustc |
5 Replies
10846 Views |
July 02, 2008, 10:54:54 AM by martijn |
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egrad does not write ed.plt
Started by antti_karttunen |
2 Replies
7539 Views |
June 26, 2008, 11:23:30 AM by antti_karttunen |
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wavefunction analysis : CDA etc.
Started by wwwups |
0 Replies
6250 Views |
June 06, 2008, 01:48:49 AM by wwwups |
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5 Replies
11882 Views |
June 04, 2008, 11:43:10 AM by uwe |
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Generate WFN file
Started by scope |
2 Replies
17248 Views |
June 02, 2008, 04:44:03 PM by christof.haettig |
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Localization of virtual orbitals
Started by Matteo Guglielmi |
7 Replies
15948 Views |
April 15, 2008, 04:53:55 PM by christof.haettig |
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1 Replies
8941 Views |
April 15, 2008, 04:44:05 PM by christof.haettig |
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