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1 Replies
7655 Views |
May 29, 2012, 12:43:05 PMby e.berardo |
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0 Replies
5224 Views |
March 31, 2010, 11:36:27 AM by evgeniy |
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1 Replies
6416 Views |
November 17, 2016, 05:21:19 PM by christof.haettig |
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0 Replies
5472 Views |
March 31, 2010, 04:51:54 PM by evgeniy |
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[HowTo] Generate NTOs from TDDFT
Started by finrod |
6 Replies
6923 Views |
December 25, 2023, 09:51:28 PM by shafikoff |
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1 Replies
4052 Views |
August 26, 2021, 10:07:16 AM by Arnim |
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Set multiplicity on Turbomole
Started by Glxblt76 |
1 Replies
5943 Views |
April 23, 2019, 11:25:58 AM by Arnim |
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Visualization
Started by Gopakumar |
2 Replies
9959 Views |
January 22, 2007, 02:17:44 PM by antti_karttunen |
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Atomic Orbital Contributions to MO
Started by Gopakumar |
2 Replies
8256 Views |
May 13, 2007, 02:37:27 PM by christof.haettig |
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LCAO coefficients
Started by Gopakumar |
0 Replies
6121 Views |
December 13, 2007, 11:37:28 AM by Gopakumar |
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0 Replies
6919 Views |
July 14, 2011, 02:51:03 PM by greisen |
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0 Replies
5247 Views |
July 13, 2011, 03:49:12 PM by Hasan |
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Radius of Hydrogen used in $esp_fit kollman
Started by Hauke |
0 Replies
5523 Views |
December 14, 2012, 01:07:13 AM by Hauke |
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Faulty wfn files
Started by hmsenn |
8 Replies
15254 Views |
July 11, 2009, 11:37:08 AM by sebastian |
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TURBOMOLE and Cube format
Started by I.Swart |
2 Replies
9371 Views |
October 18, 2007, 09:04:27 AM by I.Swart |
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MOs decomposition using NBO analysis
Started by Jakub |
1 Replies
6680 Views |
October 25, 2010, 01:23:41 PM by Arnim |
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12 Replies
13572 Views |
May 03, 2013, 09:23:27 AM by antti_karttunen |
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methods for a quality CD spectrum
Started by jbaltrus |
1 Replies
5889 Views |
July 20, 2010, 05:51:22 PM by christof.haettig |
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can't use t2x
Started by jbaltrus |
1 Replies
6410 Views |
November 18, 2010, 06:00:38 PM by christof.haettig |
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1 Replies
7379 Views |
August 12, 2011, 09:43:25 AM by christof.haettig |
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