Subject / Started by | Replies / Views | Last post | ||
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Implicit solvation in GFN2-xTB
Started by dw1032 |
0 Replies
3439 Views |
August 31, 2020, 10:49:11 AM by dw1032 |
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0 Replies
5606 Views |
August 12, 2013, 05:47:11 PM by holyriver6 |
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0 Replies
7522 Views |
February 25, 2007, 08:17:45 PM by Lohengrin |
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0 Replies
6887 Views |
April 16, 2008, 02:19:34 PM by evgeniy |
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0 Replies
4682 Views |
June 16, 2012, 11:41:35 AM by jitmukherjeechem |
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UFF with external electric field
Started by JakubV |
0 Replies
2502 Views |
July 31, 2021, 11:20:39 PM by JakubV |
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No convergence with COSMO-RS
Started by mwoch |
0 Replies
5196 Views |
December 04, 2013, 02:28:04 PM by mwoch |
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Optimization failed in excited state
Started by wuhen |
1 Replies
5392 Views |
July 22, 2011, 04:47:01 PM by amavr78 |
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RDGRAD Failing in SMP with RIJK
Started by tjmustard |
1 Replies
5871 Views |
April 27, 2012, 12:27:37 PM by uwe |
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1 Replies
1504 Views |
December 17, 2023, 11:18:13 PM by uwe |
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1 Replies
5459 Views |
July 26, 2010, 12:36:21 PM by Arnim |
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1 Replies
7273 Views |
July 02, 2008, 05:36:20 PM by uwe |
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Frozen Optimization
Started by lanjh |
1 Replies
7083 Views |
May 26, 2008, 11:30:25 AM by uwe |
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Basic AIMD setup
Started by mpjohans |
1 Replies
7230 Views |
October 31, 2008, 03:43:11 PM by selliott |
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1 Replies
7169 Views |
January 11, 2009, 12:58:30 PM by christof.haettig |
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1 Replies
6963 Views |
January 11, 2009, 12:17:23 PM by christof.haettig |
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Turbomole in two different machines
Started by kmkumar |
1 Replies
6139 Views |
February 05, 2009, 03:29:58 PM by christof.haettig |
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molecular dynamics not getting started
Started by vsharma |
1 Replies
6007 Views |
April 29, 2013, 10:34:58 AM by Arnim |
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problems with jobex convcheck.f
Started by annaamat |
1 Replies
8499 Views |
March 25, 2008, 11:18:08 AM by uwe |
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B2-PLYP never works
Started by Arrepiadd |
1 Replies
7960 Views |
February 22, 2008, 11:15:51 AM by antti_karttunen |
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