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QMMM optimization using TURBOMOLE
Started by payelsahu |
0 Replies
7906 Views |
April 20, 2017, 08:58:09 AMby payelsahu |
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2 Replies
7893 Views |
October 12, 2009, 03:55:55 PM by willows9803 |
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3 Replies
7867 Views |
October 26, 2011, 02:49:23 PM by Ian K |
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Constrained optimizations
Started by gojimeo |
0 Replies
7813 Views |
October 29, 2007, 08:44:54 PM by gojimeo |
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4 Replies
7789 Views |
December 29, 2014, 09:23:44 PM by uwe |
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IRC calculation
Started by marcel |
0 Replies
7750 Views |
September 09, 2008, 10:28:17 PM by marcel |
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2 Replies
7699 Views |
October 27, 2009, 04:05:44 PM by evgeniy |
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periodic boundary conditions
Started by asaf |
2 Replies
7624 Views |
August 29, 2011, 06:47:02 PM by pski |
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doublet excited state optimization
Started by lyzhu |
0 Replies
7559 Views |
December 15, 2009, 04:50:42 PM by lyzhu |
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minimum energey crossing point (mecp)
Started by adam.kubas |
0 Replies
7545 Views |
September 13, 2009, 11:37:19 AM by adam.kubas |
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2 Replies
7361 Views |
June 06, 2021, 12:23:03 AM by JakubV |
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Optimization error with symmetry
Started by ylniu |
0 Replies
7360 Views |
July 09, 2009, 09:09:12 AM by ylniu |
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0 Replies
7271 Views |
June 17, 2017, 10:54:02 AM by makhlaghi |
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1 Replies
7199 Views |
January 11, 2012, 10:07:33 PM by golden |
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Turbomole in two different machines
Started by kmkumar |
1 Replies
7180 Views |
February 05, 2009, 03:29:58 PM by christof.haettig |
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2 Replies
7139 Views |
October 24, 2011, 07:16:16 PM by Ian K |
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2 Replies
7136 Views |
October 01, 2015, 10:58:48 AM by christof.haettig |
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1 Replies
7057 Views |
May 19, 2010, 07:40:40 PM by jbaltrus |
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FROG module
Started by Olynes |
1 Replies
7016 Views |
January 16, 2015, 10:03:44 AM by uwe |
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8 Replies
7014 Views |
December 01, 2020, 06:41:36 PM by uwe |
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