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EHT: Wurtzite GaP is open shell
Started by Taylar |
0 Replies
39832 Views |
April 04, 2022, 04:24:11 AMby Taylar |
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0 Replies
54153 Views |
June 02, 2008, 05:54:01 PM by christof.haettig |
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Diabatic calculation
Started by greisen |
0 Replies
36965 Views |
March 21, 2011, 03:14:35 PM by greisen |
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0 Replies
28957 Views |
March 10, 2017, 05:09:40 PM by footballplayer |
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0 Replies
47036 Views |
September 04, 2010, 02:28:33 PM by wuhen |
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HOMO-LUMO gap
Started by sca |
0 Replies
51999 Views |
January 15, 2009, 09:05:51 PM by sca |
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0 Replies
49079 Views |
August 20, 2018, 02:03:21 PM by evgeniy |
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error in definite matrix
Started by ztehrani |
0 Replies
29441 Views |
May 12, 2017, 01:00:56 PM by ztehrani |
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Fragment Multiplicity
Started by Ian K |
0 Replies
46418 Views |
August 17, 2010, 10:21:44 PM by Ian K |
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Ion Pairing
Started by ali.raza1989 |
0 Replies
46542 Views |
August 16, 2018, 12:09:23 PM by ali.raza1989 |
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0 Replies
26407 Views |
March 26, 2010, 05:58:40 PM by evgeniy |
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hydrogen bonding interaction
Started by jitmukherjeechem |
0 Replies
40280 Views |
June 02, 2012, 01:03:09 PM by jitmukherjeechem |
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BmBt matrix
Started by acapobia |
0 Replies
45327 Views |
February 18, 2015, 10:07:15 AM by acapobia |
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error in basis set library for Mn
Started by mradon |
0 Replies
44412 Views |
August 01, 2013, 11:57:47 AM by mradon |
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No cc-pVDZ-PP auxiliary basis for Iridium
Started by evgeniy |
0 Replies
29565 Views |
June 01, 2017, 01:46:39 PM by evgeniy |
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0 Replies
39437 Views |
February 04, 2013, 10:34:29 AM by andy |
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0 Replies
26226 Views |
October 30, 2015, 05:42:15 AM by yuniawan |
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ROHF calculation with define
Started by Morbert |
1 Replies
50857 Views |
July 20, 2010, 05:52:41 PM by christof.haettig |
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desy and eps units
Started by lopez |
1 Replies
43077 Views |
May 06, 2009, 09:07:55 PM by andreas |
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Auxilary (cbas
Started by evgeniy |
1 Replies
49342 Views |
February 13, 2014, 12:06:04 PM by antti_karttunen |
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