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using RI with hybrid functionals
Started by doguapo |
1 Replies
7477 Views |
August 06, 2010, 09:03:14 PMby uwe |
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3 Replies
7431 Views |
October 26, 2011, 02:49:23 PM by Ian K |
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2 Replies
7424 Views |
October 12, 2009, 03:55:55 PM by willows9803 |
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Constrained optimizations
Started by gojimeo |
0 Replies
7310 Views |
October 29, 2007, 08:44:54 PM by gojimeo |
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IRC calculation
Started by marcel |
0 Replies
7274 Views |
September 09, 2008, 10:28:17 PM by marcel |
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2 Replies
7253 Views |
October 27, 2009, 04:05:44 PM by evgeniy |
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2 Replies
7236 Views |
June 06, 2021, 12:23:03 AM by JakubV |
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QMMM optimization using TURBOMOLE
Started by payelsahu |
0 Replies
7204 Views |
April 20, 2017, 08:58:09 AM by payelsahu |
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periodic boundary conditions
Started by asaf |
2 Replies
7187 Views |
August 29, 2011, 06:47:02 PM by pski |
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doublet excited state optimization
Started by lyzhu |
0 Replies
7105 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
7090 Views |
September 13, 2009, 11:37:19 AM by adam.kubas |
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1 Replies
7065 Views |
January 11, 2012, 10:07:33 PM by golden |
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2 Replies
6989 Views |
October 01, 2015, 10:58:48 AM by christof.haettig |
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Optimization error with symmetry
Started by ylniu |
0 Replies
6904 Views |
July 09, 2009, 09:09:12 AM by ylniu |
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FROG module
Started by Olynes |
1 Replies
6887 Views |
January 16, 2015, 10:03:44 AM by uwe |
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Doubts with Molecular Orbitals
Started by inozerox |
3 Replies
6756 Views |
April 02, 2016, 02:54:53 PM by inozerox |
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2 Replies
6752 Views |
November 13, 2012, 02:45:05 PM by vvallet |
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Turbomole in two different machines
Started by kmkumar |
1 Replies
6723 Views |
February 05, 2009, 03:29:58 PM by christof.haettig |
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2 Replies
6706 Views |
October 24, 2011, 07:16:16 PM by Ian K |
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1 Replies
6606 Views |
May 19, 2010, 07:40:40 PM by jbaltrus |
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