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1 Replies
2828 Views |
December 17, 2023, 11:18:13 PMby uwe |
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Implicit solvation in GFN2-xTB
Started by dw1032 |
0 Replies
4727 Views |
August 31, 2020, 10:49:11 AM by dw1032 |
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minimum energey crossing point (mecp)
Started by adam.kubas |
0 Replies
7195 Views |
September 13, 2009, 11:37:19 AM by adam.kubas |
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0 Replies
7608 Views |
April 16, 2008, 02:19:34 PM by evgeniy |
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QMMM optimization using TURBOMOLE
Started by payelsahu |
0 Replies
7495 Views |
April 20, 2017, 08:58:09 AM by payelsahu |
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0 Replies
5271 Views |
January 22, 2016, 04:29:05 PM by uwe |
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0 Replies
5985 Views |
August 12, 2013, 05:47:11 PM by holyriver6 |
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how to find global minimum?
Started by jitmukherjeechem |
0 Replies
6441 Views |
June 20, 2012, 02:43:31 PM by jitmukherjeechem |
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0 Replies
8869 Views |
February 25, 2007, 08:17:45 PM by Lohengrin |
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shortage of memory!
Started by jitmukherjeechem |
0 Replies
5087 Views |
June 14, 2012, 05:46:36 PM by jitmukherjeechem |
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0 Replies
5066 Views |
June 16, 2012, 11:41:35 AM by jitmukherjeechem |
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doublet excited state optimization
Started by lyzhu |
0 Replies
7205 Views |
December 15, 2009, 04:50:42 PM by lyzhu |
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Constrained optimizations
Started by gojimeo |
0 Replies
7450 Views |
October 29, 2007, 08:44:54 PM by gojimeo |
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Optimization error with symmetry
Started by ylniu |
0 Replies
7007 Views |
July 09, 2009, 09:09:12 AM by ylniu |
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0 Replies
5920 Views |
October 08, 2009, 06:16:38 PM by evgeniy |
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0 Replies
6315 Views |
June 30, 2009, 07:29:34 AM by Guangyue |
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0 Replies
5961 Views |
June 19, 2009, 11:21:01 AM by evgeniy |
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0 Replies
5919 Views |
October 05, 2009, 04:04:43 PM by evgeniy |
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UFF with external electric field
Started by JakubV |
0 Replies
3801 Views |
July 31, 2021, 11:20:39 PM by JakubV |
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dipole moment from MD run
Started by sruta |
0 Replies
3449 Views |
February 14, 2022, 10:17:55 AM by sruta |
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