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Fragment Multiplicity
Started by Ian K |
0 Replies
5288 Views |
August 17, 2010, 10:21:44 PMby Ian K |
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1 Replies
5291 Views |
December 04, 2011, 04:46:14 PM by evgeniy |
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Very STRANGE error !!!
Started by evgeniy |
1 Replies
5321 Views |
July 21, 2010, 04:11:17 PM by christof.haettig |
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0 Replies
5432 Views |
March 26, 2010, 05:58:40 PM by evgeniy |
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how to do optimization with out symmetry
Started by golden |
1 Replies
5563 Views |
March 22, 2012, 08:05:50 AM by antti_karttunen |
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1 Replies
5587 Views |
February 15, 2010, 10:33:01 AM by Arnim |
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How to comment in define input file
Started by xiang |
2 Replies
5607 Views |
March 31, 2019, 07:37:20 PM by uwe |
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error in basis set library for Mn
Started by mradon |
0 Replies
5643 Views |
August 01, 2013, 11:57:47 AM by mradon |
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The use command
Started by Sam483 |
2 Replies
5733 Views |
January 15, 2013, 12:09:47 PM by Arnim |
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HOMO-LUMO gap
Started by sca |
0 Replies
5754 Views |
January 15, 2009, 09:05:51 PM by sca |
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finding ehtdata in a local basis library
Started by jmb |
1 Replies
5916 Views |
April 06, 2011, 03:40:51 PM by uwe |
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2 Replies
5923 Views |
July 16, 2014, 11:12:11 AM by evgeniy |
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Optimisation by frozen coordinate
Started by reza.omidyan |
1 Replies
5938 Views |
January 15, 2010, 08:19:35 AM by christof.haettig |
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ROHF calculation with define
Started by Morbert |
1 Replies
5958 Views |
July 20, 2010, 05:52:41 PM by christof.haettig |
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CAM-B3LYP IN TURBOMOLE 7.0
Started by inozerox |
2 Replies
6010 Views |
October 07, 2015, 08:09:15 PM by inozerox |
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desy and eps units
Started by lopez |
1 Replies
6012 Views |
May 06, 2009, 09:07:55 PM by andreas |
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Turbmole define error
Started by saikat403 |
1 Replies
6054 Views |
September 20, 2019, 03:47:06 PM by uwe |
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1 Replies
6143 Views |
November 24, 2009, 12:24:17 PM by christof.haettig |
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system charge
Started by wilhelm |
3 Replies
6234 Views |
November 18, 2010, 06:02:19 PM by christof.haettig |
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Modifying basis functions
Started by jmmckel |
1 Replies
6277 Views |
May 22, 2009, 01:06:23 PM by andreas |
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