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how to run JOBBSSE
Started by ok |
1 Replies
6101 Views |
June 15, 2009, 02:04:36 PMby christof.haettig |
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Double-Hybrid Density Functionals (DHDF)
Started by ok |
0 Replies
5000 Views |
May 21, 2009, 01:15:30 PM by ok |
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1 Replies
4375 Views |
October 01, 2015, 11:14:53 AM by christof.haettig |
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BSSE Problem with ECP's?
Started by pandaaka |
5 Replies
8477 Views |
May 10, 2010, 02:21:47 PM by uwe |
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visualizing natural orbitals
Started by patrikrydberg |
3 Replies
11720 Views |
October 16, 2017, 11:54:48 AM by mansaribhu |
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point charges and cosmo
Started by patrikrydberg |
1 Replies
5711 Views |
February 15, 2010, 11:02:02 AM by Arnim |
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0 Replies
6042 Views |
March 23, 2009, 01:10:04 PM by Pfister |
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1 Replies
5696 Views |
October 07, 2016, 02:11:43 PM by christof.haettig |
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1 Replies
3381 Views |
March 10, 2022, 09:56:35 AM by uwe |
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Run BSSE with PBE-def2-QZVPPD
Started by prasanta13 |
5 Replies
3890 Views |
March 08, 2022, 05:25:04 AM by prasanta13 |
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0 Replies
5147 Views |
November 22, 2019, 08:26:05 AM by saikat403 |
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potential surface scan
Started by saikat403 |
2 Replies
6320 Views |
October 11, 2019, 09:39:34 PM by saikat403 |
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Turbomole to cif conversion ?
Started by scope |
0 Replies
6931 Views |
August 08, 2007, 06:54:32 PM by scope |
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File Permissions
Started by scope |
0 Replies
4626 Views |
May 11, 2009, 11:24:04 AM by scope |
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File Permissions
Started by scope |
0 Replies
4589 Views |
May 11, 2009, 11:21:46 AM by scope |
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electric field
Started by sdTurb |
1 Replies
6604 Views |
September 11, 2008, 04:28:41 PM by uwe |
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tm2molden, norm of d-functions
Started by sebastian |
1 Replies
5502 Views |
May 18, 2009, 02:02:40 PM by CoJack |
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external basis
Started by segalemb |
3 Replies
11663 Views |
May 09, 2012, 12:44:32 PM by uwe |
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Ordering of g orbitals
Started by sergio |
0 Replies
5996 Views |
May 22, 2012, 03:04:14 PM by sergio |
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0 Replies
5476 Views |
September 24, 2008, 11:01:30 AM by slackenerny |
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