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No convergence with COSMO-RS
Started by mwoch |
0 Replies
5528 Views |
December 04, 2013, 02:28:04 PMby mwoch |
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5 Replies
14611 Views |
April 17, 2012, 02:42:39 PM by antti_karttunen |
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0 Replies
5045 Views |
June 16, 2012, 11:41:35 AM by jitmukherjeechem |
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0 Replies
5247 Views |
January 22, 2016, 04:29:05 PM by uwe |
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molecular dynamics not getting started
Started by vsharma |
1 Replies
6350 Views |
April 29, 2013, 10:34:58 AM by Arnim |
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minimum energey crossing point (mecp)
Started by adam.kubas |
0 Replies
7090 Views |
September 13, 2009, 11:37:19 AM by adam.kubas |
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metastase
Started by Matteo Guglielmi |
2 Replies
9726 Views |
February 27, 2009, 02:51:35 AM by Matteo Guglielmi |
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0 Replies
8607 Views |
February 25, 2007, 08:17:45 PM by Lohengrin |
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2 Replies
6752 Views |
November 13, 2012, 02:45:05 PM by vvallet |
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jobex with peecm error in rdgrad step
Started by flabia |
2 Replies
6170 Views |
December 12, 2011, 09:25:09 AM by flabia |
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jobex results in molecule rotation
Started by luyj |
5 Replies
8788 Views |
September 07, 2016, 04:43:02 PM by uwe |
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3 Replies
9665 Views |
May 16, 2012, 12:38:48 PM by antti_karttunen |
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0 Replies
6210 Views |
June 30, 2009, 07:29:34 AM by Guangyue |
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2 Replies
7253 Views |
October 27, 2009, 04:05:44 PM by evgeniy |
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0 Replies
7483 Views |
April 16, 2008, 02:19:34 PM by evgeniy |
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IRC calculation
Started by marcel |
0 Replies
7275 Views |
September 09, 2008, 10:28:17 PM by marcel |
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IRC (internal reaction coordinate)
Started by jbaltrus |
3 Replies
6583 Views |
March 17, 2012, 07:22:43 PM by Arnim |
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2 Replies
4163 Views |
March 10, 2021, 11:46:49 AM by Krzmbrzl |
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Implicit solvation in GFN2-xTB
Started by dw1032 |
0 Replies
4462 Views |
August 31, 2020, 10:49:11 AM by dw1032 |
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I get no gradient file
Started by Lara |
6 Replies
9288 Views |
October 11, 2011, 02:52:37 PM by Lara |
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