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WARNING: HOMO-LUMO Gap is negativ
Started by tanguyv |
3 Replies
19863 Views |
June 16, 2009, 10:35:50 AMby tanguyv |
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Generate WFN file
Started by scope |
2 Replies
16947 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
15475 Views |
April 15, 2008, 04:53:55 PM by christof.haettig |
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Faulty wfn files
Started by hmsenn |
8 Replies
15243 Views |
July 11, 2009, 11:37:08 AM by sebastian |
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12 Replies
13548 Views |
May 03, 2013, 09:23:27 AM by antti_karttunen |
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3 Replies
13051 Views |
October 14, 2015, 10:47:38 AM by CharlesG |
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How generate wfn file in TM V6.3
Started by tayed |
4 Replies
11811 Views |
February 26, 2013, 07:52:04 PM by Hauke |
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5 Replies
11533 Views |
June 04, 2008, 11:43:10 AM by uwe |
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4 Replies
10852 Views |
February 12, 2009, 12:11:43 AM by acapobia |
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questions on t2x
Started by zhangustc |
5 Replies
10509 Views |
July 02, 2008, 10:54:54 AM by martijn |
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2 Replies
10307 Views |
July 08, 2015, 02:41:39 PM by uwe |
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plotting density of open shell
Started by cavallo |
3 Replies
10236 Views |
September 04, 2008, 10:02:22 AM by mpjohans |
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quadrupole moments
Started by a.karl |
1 Replies
10167 Views |
March 04, 2008, 10:32:28 AM by christof.haettig |
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Visualization
Started by Gopakumar |
2 Replies
9939 Views |
January 22, 2007, 02:17:44 PM by antti_karttunen |
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How to generat file47 for gennbo (NBO7)
Started by KrisR |
6 Replies
9662 Views |
March 24, 2024, 06:00:38 PM by christof.haettig |
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Problems with PABOON MAO selection options
Started by wb |
4 Replies
9536 Views |
December 18, 2013, 07:06:01 AM by himansu |
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option -proper
Started by arek1arek |
3 Replies
9535 Views |
March 14, 2008, 05:30:48 PM by uwe |
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3 Replies
9455 Views |
January 05, 2014, 11:27:53 PM by woland |
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Mullikan Charges Confusing
Started by kmkumar |
2 Replies
9396 Views |
October 11, 2013, 04:35:28 PM by uwe |
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TURBOMOLE and Cube format
Started by I.Swart |
2 Replies
9361 Views |
October 18, 2007, 09:04:27 AM by I.Swart |
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