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Ordering of g orbitals
Started by sergio |
0 Replies
16074 Views |
May 22, 2012, 03:04:14 PMby sergio |
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0 Replies
23970 Views |
September 24, 2008, 11:01:30 AM by slackenerny |
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How to calculate dG
Started by sonic |
3 Replies
41809 Views |
February 18, 2009, 02:43:18 PM by FKoehler |
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2 Replies
30187 Views |
May 10, 2007, 11:01:08 PM by turbomaster |
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tm2molden in v.5.9
Started by Tobias_S |
3 Replies
35864 Views |
May 30, 2007, 09:29:22 PM by uwe |
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spin contrained UHF calculations.
Started by topherson |
2 Replies
22173 Views |
September 03, 2015, 12:20:05 PM by topherson |
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0 Replies
17765 Views |
February 17, 2011, 08:05:28 AM by tosa |
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diffuse basis set
Started by Turboooo |
2 Replies
18168 Views |
March 15, 2013, 05:47:50 PM by Turboooo |
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0 Replies
17616 Views |
June 10, 2014, 10:48:40 PM by vspata0 |
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Freeh
Started by Wilberth Narvaez |
1 Replies
26369 Views |
February 17, 2016, 01:05:39 PM by Arnim |
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Predict XRD pattern
Started by Wilberth Narvaez |
0 Replies
22763 Views |
February 08, 2016, 06:33:29 PM by Wilberth Narvaez |
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0 Replies
21818 Views |
December 27, 2015, 11:27:08 PM by Wilberth Narvaez |
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1 Replies
27078 Views |
March 31, 2016, 03:53:41 PM by amavr78 |
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1 Replies
20214 Views |
December 18, 2015, 10:41:45 AM by christof.haettig |
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1 Replies
21214 Views |
September 25, 2015, 01:25:23 PM by christof.haettig |
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Running COSMO in TURBOMOLE...
Started by willows9803 |
2 Replies
29587 Views |
January 28, 2008, 02:40:00 PM by willows9803 |
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ONIOM-like calculations in TM?
Started by wwwups |
0 Replies
24769 Views |
June 27, 2008, 10:22:48 AM by wwwups |
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freeh - differences in ZPE
Started by yasmeen |
4 Replies
22117 Views |
November 12, 2013, 11:32:57 AM by yasmeen |
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freeh - choosing a scalling factor
Started by ym21d@fsu.edu |
0 Replies
21781 Views |
June 23, 2025, 06:56:08 PM by ym21d@fsu.edu |
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joining coord files
Started by ym21d@fsu.edu |
3 Replies
39519 Views |
June 04, 2024, 09:32:02 PM by antti_karttunen |
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