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Basis set modification after 'blowup'
Started by luyj |
1 Replies
4380 Views |
September 30, 2015, 10:37:33 AMby christof.haettig |
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Peptide geometry optimization
Started by dusan |
3 Replies
5235 Views |
September 30, 2015, 03:07:48 PM by christof.haettig |
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1 Replies
4382 Views |
October 01, 2015, 11:14:53 AM by christof.haettig |
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PEECM calculations
Started by helali |
0 Replies
3983 Views |
November 16, 2015, 01:43:19 PM by helali |
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mos file: AO basis function order and norm?
Started by Jonas |
4 Replies
11923 Views |
December 10, 2015, 04:02:45 PM by uwe |
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1 Replies
4649 Views |
December 18, 2015, 10:41:45 AM by christof.haettig |
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0 Replies
4310 Views |
December 27, 2015, 11:27:08 PM by Wilberth Narvaez |
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Predict XRD pattern
Started by Wilberth Narvaez |
0 Replies
4403 Views |
February 08, 2016, 06:33:29 PM by Wilberth Narvaez |
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Freeh
Started by Wilberth Narvaez |
1 Replies
4991 Views |
February 17, 2016, 01:05:39 PM by Arnim |
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1 Replies
5026 Views |
March 31, 2016, 03:53:41 PM by amavr78 |
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Problem with AOMix
Started by mwoch |
7 Replies
8968 Views |
July 08, 2016, 11:24:08 AM by riteshruhela |
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freeh - entropy
Started by foea |
6 Replies
10016 Views |
September 01, 2016, 03:12:37 PM by mpjohans |
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1 Replies
6712 Views |
September 06, 2016, 02:52:33 PM by JakubV |
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Uranium basis sets
Started by JakubV |
1 Replies
5377 Views |
September 06, 2016, 07:48:17 PM by antti_karttunen |
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1 Replies
5718 Views |
October 07, 2016, 02:11:43 PM by christof.haettig |
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resp charges with turbomole
Started by cesca_lb |
2 Replies
6541 Views |
November 26, 2016, 11:20:41 AM by cesca_lb |
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Problems with TURBOMOLE - sTDA program
Started by inozerox |
2 Replies
5733 Views |
May 10, 2017, 06:30:39 PM by inozerox |
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visualizing natural orbitals
Started by patrikrydberg |
3 Replies
11736 Views |
October 16, 2017, 11:54:48 AM by mansaribhu |
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Global Minimum
Started by kiranb |
0 Replies
3715 Views |
February 23, 2018, 11:16:51 PM by kiranb |
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Maximum number of atoms
Started by mike |
2 Replies
8000 Views |
March 09, 2018, 11:07:42 AM by uwe |
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