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Really deep SCF energies DFT (with dscf)
Started by marilu98 |
6 Replies
3411 Views |
November 29, 2023, 06:23:41 PMby uwe |
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3 Replies
2938 Views |
May 01, 2023, 07:39:51 PM by uwe |
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Problems with TURBOMOLE - sTDA program
Started by inozerox |
2 Replies
5711 Views |
May 10, 2017, 06:30:39 PM by inozerox |
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Problem with AOMix
Started by mwoch |
7 Replies
8926 Views |
July 08, 2016, 11:24:08 AM by riteshruhela |
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Predict XRD pattern
Started by Wilberth Narvaez |
0 Replies
4395 Views |
February 08, 2016, 06:33:29 PM by Wilberth Narvaez |
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potential surface scan
Started by saikat403 |
2 Replies
6297 Views |
October 11, 2019, 09:39:34 PM by saikat403 |
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point charges and cosmo
Started by patrikrydberg |
1 Replies
5711 Views |
February 15, 2010, 11:02:02 AM by Arnim |
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0 Replies
6512 Views |
March 09, 2018, 06:54:33 PM by jfurness |
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Peptide geometry optimization
Started by dusan |
3 Replies
5221 Views |
September 30, 2015, 03:07:48 PM by christof.haettig |
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PEECM calculations
Started by helali |
0 Replies
3974 Views |
November 16, 2015, 01:43:19 PM by helali |
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Parallelization of jobbsse
Started by mario8eren |
1 Replies
4433 Views |
September 30, 2015, 10:31:31 AM by christof.haettig |
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2 Replies
6703 Views |
August 11, 2011, 06:17:07 PM by christof.haettig |
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Ordering of g orbitals
Started by sergio |
0 Replies
5994 Views |
May 22, 2012, 03:04:14 PM by sergio |
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0 Replies
2713 Views |
June 13, 2023, 08:06:03 AM by Kritika22 |
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ONIOM-like calculations in TM?
Started by wwwups |
0 Replies
5657 Views |
June 27, 2008, 10:22:48 AM by wwwups |
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0 Replies
5469 Views |
July 13, 2010, 06:35:05 PM by Jonas |
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0 Replies
5127 Views |
November 22, 2019, 08:26:05 AM by saikat403 |
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mos file: AO basis function order and norm?
Started by Jonas |
4 Replies
11911 Views |
December 10, 2015, 04:02:45 PM by uwe |
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2 Replies
7951 Views |
February 13, 2019, 09:17:34 PM by Desang |
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Maximum number of atoms
Started by mike |
2 Replies
7972 Views |
March 09, 2018, 11:07:42 AM by uwe |
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