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No cc-pVDZ-PP auxiliary basis for Iridium
Started by evgeniy |
0 Replies
1550 Views |
June 01, 2017, 01:46:39 pmby evgeniy |
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error in definite matrix
Started by ztehrani |
0 Replies
1361 Views |
May 12, 2017, 01:00:56 pm by ztehrani |
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Diabatic calculation
Started by greisen |
0 Replies
2722 Views |
March 21, 2011, 03:14:35 pm by greisen |
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Ion Pairing
Started by ali.raza1989 |
0 Replies
329 Views |
August 16, 2018, 12:09:23 pm by ali.raza1989 |
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0 Replies
3093 Views |
March 26, 2010, 05:58:40 pm by evgeniy |
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0 Replies
355 Views |
August 20, 2018, 02:03:21 pm by evgeniy |
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0 Replies
4053 Views |
June 02, 2008, 05:54:01 pm by christof.haettig |
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0 Replies
2278 Views |
October 30, 2015, 05:42:15 am by yuniawan |
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Fragment Multiplicity
Started by Ian K |
0 Replies
2982 Views |
August 17, 2010, 10:21:44 pm by Ian K |
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HOMO-LUMO gap
Started by sca |
0 Replies
3330 Views |
January 15, 2009, 09:05:51 pm by sca |
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BmBt matrix
Started by acapobia |
0 Replies
2746 Views |
February 18, 2015, 10:07:15 am by acapobia |
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hydrogen bonding interaction
Started by jitmukherjeechem |
0 Replies
2800 Views |
June 02, 2012, 01:03:09 pm by jitmukherjeechem |
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0 Replies
2688 Views |
February 04, 2013, 10:34:29 am by andy |
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0 Replies
1512 Views |
March 10, 2017, 05:09:40 pm by footballplayer |
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dummy atoms and ecp's
Started by resofidentity |
0 Replies
4156 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
3632 Views |
August 01, 2013, 11:57:47 am by mradon |
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0 Replies
4738 Views |
September 04, 2010, 02:28:33 pm by wuhen |
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1 Replies
3276 Views |
February 15, 2010, 10:33:01 am by Arnim |
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Optimisation by frozen coordinate
Started by reza.omidyan |
1 Replies
3582 Views |
January 15, 2010, 08:19:35 am by christof.haettig |
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1 Replies
4810 Views |
December 07, 2011, 10:04:35 am by flabia |
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