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error in definite matrix
Started by ztehrani |
0 Replies
5974 Views |
May 12, 2017, 01:00:56 PMby ztehrani |
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Diabatic calculation
Started by greisen |
0 Replies
4659 Views |
March 21, 2011, 03:14:35 PM by greisen |
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0 Replies
4577 Views |
August 20, 2018, 02:03:21 PM by evgeniy |
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EHT: Wurtzite GaP is open shell
Started by Taylar |
0 Replies
2773 Views |
April 04, 2022, 04:24:11 AM by Taylar |
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0 Replies
6358 Views |
June 02, 2008, 05:54:01 PM by christof.haettig |
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error in basis set library for Mn
Started by mradon |
0 Replies
5604 Views |
August 01, 2013, 11:57:47 AM by mradon |
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HOMO-LUMO gap
Started by sca |
0 Replies
5723 Views |
January 15, 2009, 09:05:51 PM by sca |
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hydrogen bonding interaction
Started by jitmukherjeechem |
0 Replies
4752 Views |
June 02, 2012, 01:03:09 PM by jitmukherjeechem |
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0 Replies
7146 Views |
September 04, 2010, 02:28:33 PM by wuhen |
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BmBt matrix
Started by acapobia |
0 Replies
4901 Views |
February 18, 2015, 10:07:15 AM by acapobia |
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Ion Pairing
Started by ali.raza1989 |
0 Replies
4471 Views |
August 16, 2018, 12:09:23 PM by ali.raza1989 |
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0 Replies
4430 Views |
October 30, 2015, 05:42:15 AM by yuniawan |
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Fragment Multiplicity
Started by Ian K |
0 Replies
5261 Views |
August 17, 2010, 10:21:44 PM by Ian K |
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0 Replies
5408 Views |
March 26, 2010, 05:58:40 PM by evgeniy |
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0 Replies
5870 Views |
March 10, 2017, 05:09:40 PM by footballplayer |
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No cc-pVDZ-PP auxiliary basis for Iridium
Started by evgeniy |
0 Replies
6149 Views |
June 01, 2017, 01:46:39 PM by evgeniy |
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0 Replies
4786 Views |
February 04, 2013, 10:34:29 AM by andy |
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Turbmole define error
Started by saikat403 |
1 Replies
5635 Views |
September 20, 2019, 03:47:06 PM by uwe |
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define on Windows
Started by Glxblt76 |
1 Replies
4011 Views |
June 06, 2020, 03:00:41 PM by uwe |
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how to do optimization with out symmetry
Started by golden |
1 Replies
5511 Views |
March 22, 2012, 08:05:50 AM by antti_karttunen |
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