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Starting mos for supermolecule
Started by Robin1991 |
1 Replies
1784 Views |
December 21, 2024, 10:32:12 PMby uwe |
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0 Replies
7629 Views |
October 30, 2015, 05:42:15 AM by yuniawan |
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Diabatic calculation
Started by greisen |
0 Replies
7879 Views |
March 21, 2011, 03:14:35 PM by greisen |
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hydrogen bonding interaction
Started by jitmukherjeechem |
0 Replies
7977 Views |
June 02, 2012, 01:03:09 PM by jitmukherjeechem |
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0 Replies
8049 Views |
February 04, 2013, 10:34:29 AM by andy |
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BmBt matrix
Started by acapobia |
0 Replies
8102 Views |
February 18, 2015, 10:07:15 AM by acapobia |
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EHT: Wurtzite GaP is open shell
Started by Taylar |
0 Replies
8212 Views |
April 04, 2022, 04:24:11 AM by Taylar |
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Auxilary (cbas
Started by evgeniy |
1 Replies
8231 Views |
February 13, 2014, 12:06:04 PM by antti_karttunen |
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Automatimg Define
Started by ym21d@fsu.edu |
1 Replies
8276 Views |
May 20, 2023, 11:27:39 AM by antti_karttunen |
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start mos without define
Started by tmartin |
1 Replies
8394 Views |
September 23, 2014, 02:08:00 PM by Arnim |
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1 Replies
8416 Views |
February 16, 2015, 02:29:57 PM by uwe |
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Fragment Multiplicity
Started by Ian K |
0 Replies
8463 Views |
August 17, 2010, 10:21:44 PM by Ian K |
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0 Replies
8524 Views |
March 26, 2010, 05:58:40 PM by evgeniy |
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1 Replies
8542 Views |
December 04, 2011, 04:46:14 PM by evgeniy |
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Very STRANGE error !!!
Started by evgeniy |
1 Replies
8546 Views |
July 21, 2010, 04:11:17 PM by christof.haettig |
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1 Replies
8693 Views |
February 15, 2010, 10:33:01 AM by Arnim |
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error in basis set library for Mn
Started by mradon |
0 Replies
8758 Views |
August 01, 2013, 11:57:47 AM by mradon |
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how to do optimization with out symmetry
Started by golden |
1 Replies
8776 Views |
March 22, 2012, 08:05:50 AM by antti_karttunen |
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HOMO-LUMO gap
Started by sca |
0 Replies
8943 Views |
January 15, 2009, 09:05:51 PM by sca |
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Ion Pairing
Started by ali.raza1989 |
0 Replies
9024 Views |
August 16, 2018, 12:09:23 PM by ali.raza1989 |
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