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How to use HAGA for optimization?
Started by Robin1991 |
0 Replies
153 Views |
May 13, 2024, 05:28:26 PMby Robin1991 |
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0 Replies
5509 Views |
September 24, 2008, 11:01:30 AM by slackenerny |
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Predict XRD pattern
Started by Wilberth Narvaez |
0 Replies
4429 Views |
February 08, 2016, 06:33:29 PM by Wilberth Narvaez |
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0 Replies
4338 Views |
December 27, 2015, 11:27:08 PM by Wilberth Narvaez |
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0 Replies
6076 Views |
March 23, 2009, 01:10:04 PM by Pfister |
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File Permissions
Started by scope |
0 Replies
4623 Views |
May 11, 2009, 11:21:46 AM by scope |
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File Permissions
Started by scope |
0 Replies
4654 Views |
May 11, 2009, 11:24:04 AM by scope |
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Double-Hybrid Density Functionals (DHDF)
Started by ok |
0 Replies
5038 Views |
May 21, 2009, 01:15:30 PM by ok |
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Jobbsse Problem
Started by idet2 |
0 Replies
4718 Views |
June 26, 2009, 08:54:44 AM by idet2 |
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PEECM calculations
Started by helali |
0 Replies
3997 Views |
November 16, 2015, 01:43:19 PM by helali |
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Ordering of g orbitals
Started by sergio |
0 Replies
6032 Views |
May 22, 2012, 03:04:14 PM by sergio |
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0 Replies
3809 Views |
June 10, 2014, 10:48:40 PM by vspata0 |
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internal reaction coordinate
Started by jbaltrus |
0 Replies
4861 Views |
June 27, 2010, 01:01:52 AM by jbaltrus |
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0 Replies
5507 Views |
July 13, 2010, 06:35:05 PM by Jonas |
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0 Replies
4673 Views |
February 17, 2011, 08:05:28 AM by tosa |
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cbas for lanthanides
Started by ChristophM |
0 Replies
4033 Views |
November 19, 2013, 09:14:02 AM by ChristophM |
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ONIOM-like calculations in TM?
Started by wwwups |
0 Replies
5692 Views |
June 27, 2008, 10:22:48 AM by wwwups |
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Global Minimum
Started by kiranb |
0 Replies
3744 Views |
February 23, 2018, 11:16:51 PM by kiranb |
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0 Replies
3225 Views |
June 13, 2023, 08:06:03 AM by Kritika22 |
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