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Global Minimum
Started by kiranb |
0 Replies
3682 Views |
February 23, 2018, 11:16:51 PMby kiranb |
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visualizing natural orbitals
Started by patrikrydberg |
3 Replies
11701 Views |
October 16, 2017, 11:54:48 AM by mansaribhu |
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Problems with TURBOMOLE - sTDA program
Started by inozerox |
2 Replies
5687 Views |
May 10, 2017, 06:30:39 PM by inozerox |
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resp charges with turbomole
Started by cesca_lb |
2 Replies
6483 Views |
November 26, 2016, 11:20:41 AM by cesca_lb |
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1 Replies
5677 Views |
October 07, 2016, 02:11:43 PM by christof.haettig |
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Uranium basis sets
Started by JakubV |
1 Replies
5333 Views |
September 06, 2016, 07:48:17 PM by antti_karttunen |
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1 Replies
6676 Views |
September 06, 2016, 02:52:33 PM by JakubV |
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freeh - entropy
Started by foea |
6 Replies
9975 Views |
September 01, 2016, 03:12:37 PM by mpjohans |
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Problem with AOMix
Started by mwoch |
7 Replies
8899 Views |
July 08, 2016, 11:24:08 AM by riteshruhela |
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1 Replies
4996 Views |
March 31, 2016, 03:53:41 PM by amavr78 |
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Freeh
Started by Wilberth Narvaez |
1 Replies
4963 Views |
February 17, 2016, 01:05:39 PM by Arnim |
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Predict XRD pattern
Started by Wilberth Narvaez |
0 Replies
4383 Views |
February 08, 2016, 06:33:29 PM by Wilberth Narvaez |
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0 Replies
4282 Views |
December 27, 2015, 11:27:08 PM by Wilberth Narvaez |
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1 Replies
4620 Views |
December 18, 2015, 10:41:45 AM by christof.haettig |
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mos file: AO basis function order and norm?
Started by Jonas |
4 Replies
11880 Views |
December 10, 2015, 04:02:45 PM by uwe |
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PEECM calculations
Started by helali |
0 Replies
3953 Views |
November 16, 2015, 01:43:19 PM by helali |
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1 Replies
4357 Views |
October 01, 2015, 11:14:53 AM by christof.haettig |
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Peptide geometry optimization
Started by dusan |
3 Replies
5203 Views |
September 30, 2015, 03:07:48 PM by christof.haettig |
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Basis set modification after 'blowup'
Started by luyj |
1 Replies
4347 Views |
September 30, 2015, 10:37:33 AM by christof.haettig |
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Parallelization of jobbsse
Started by mario8eren |
1 Replies
4416 Views |
September 30, 2015, 10:31:31 AM by christof.haettig |
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