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No cc-pVDZ-PP auxiliary basis for Iridium
Started by evgeniy |
0 Replies
1058 Views |
June 01, 2017, 01:46:39 pmby evgeniy |
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0 Replies
1872 Views |
October 30, 2015, 05:42:15 am by yuniawan |
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0 Replies
4271 Views |
September 04, 2010, 02:28:33 pm by wuhen |
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0 Replies
2819 Views |
March 26, 2010, 05:58:40 pm by evgeniy |
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BmBt matrix
Started by acapobia |
0 Replies
2356 Views |
February 18, 2015, 10:07:15 am by acapobia |
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0 Replies
1009 Views |
March 10, 2017, 05:09:40 pm by footballplayer |
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Fragment Multiplicity
Started by Ian K |
0 Replies
2713 Views |
August 17, 2010, 10:21:44 pm by Ian K |
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0 Replies
2396 Views |
February 04, 2013, 10:34:29 am by andy |
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HOMO-LUMO gap
Started by sca |
0 Replies
3094 Views |
January 15, 2009, 09:05:51 pm by sca |
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error in definite matrix
Started by ztehrani |
0 Replies
860 Views |
May 12, 2017, 01:00:56 pm by ztehrani |
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hydrogen bonding interaction
Started by jitmukherjeechem |
0 Replies
2560 Views |
June 02, 2012, 01:03:09 pm by jitmukherjeechem |
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Diabatic calculation
Started by greisen |
0 Replies
2468 Views |
March 21, 2011, 03:14:35 pm by greisen |
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dummy atoms and ecp's
Started by resofidentity |
0 Replies
3839 Views |
May 21, 2007, 02:15:40 pm by resofidentity |
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error in basis set library for Mn
Started by mradon |
0 Replies
3381 Views |
August 01, 2013, 11:57:47 am by mradon |
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0 Replies
3715 Views |
June 02, 2008, 05:54:01 pm by christof.haettig |
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setting ECPs: define vs TmoleX
Started by ekirillov |
1 Replies
3881 Views |
November 24, 2009, 10:48:02 am by christof.haettig |
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1 Replies
4453 Views |
December 07, 2011, 10:04:35 am by flabia |
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1 Replies
3371 Views |
November 24, 2009, 12:24:17 pm by christof.haettig |
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Optimisation by frozen coordinate
Started by reza.omidyan |
1 Replies
3284 Views |
January 15, 2010, 08:19:35 am by christof.haettig |
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ROHF calculation with define
Started by Morbert |
1 Replies
3087 Views |
July 20, 2010, 05:52:41 pm by christof.haettig |
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