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3 Replies
11406 Views |
May 01, 2023, 07:39:51 PMby uwe |
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Really deep SCF energies DFT (with dscf)
Started by marilu98 |
6 Replies
14193 Views |
November 29, 2023, 06:23:41 PM by uwe |
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1 Replies
11215 Views |
September 18, 2020, 11:48:53 AM by uwe |
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resp charges with turbomole
Started by cesca_lb |
2 Replies
12246 Views |
November 26, 2016, 11:20:41 AM by cesca_lb |
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2 Replies
13149 Views |
May 10, 2007, 11:01:08 PM by turbomaster |
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Run BSSE with PBE-def2-QZVPPD
Started by prasanta13 |
5 Replies
13351 Views |
March 08, 2022, 05:25:04 AM by prasanta13 |
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Running COSMO in TURBOMOLE...
Started by willows9803 |
2 Replies
15372 Views |
January 28, 2008, 02:40:00 PM by willows9803 |
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1 Replies
9636 Views |
February 13, 2023, 02:58:39 PM by uwe |
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SDD basis set
Started by genneth9 |
2 Replies
17479 Views |
March 20, 2013, 10:22:07 AM by Arnim |
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Some question about basis set
Started by manyu |
2 Replies
21094 Views |
April 23, 2007, 05:54:34 PM by uwe |
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spin contrained UHF calculations.
Started by topherson |
2 Replies
13037 Views |
September 03, 2015, 12:20:05 PM by topherson |
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8 Replies
18095 Views |
March 05, 2014, 11:02:47 AM by hannesb |
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TM2Molden Error
Started by idet2 |
0 Replies
10093 Views |
November 13, 2007, 09:29:19 PM by idet2 |
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tm2molden in v.5.9
Started by Tobias_S |
3 Replies
14485 Views |
May 30, 2007, 09:29:22 PM by uwe |
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tm2molden, norm of d-functions
Started by sebastian |
1 Replies
10040 Views |
May 18, 2009, 02:02:40 PM by CoJack |
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Turbomole to cif conversion ?
Started by scope |
0 Replies
11752 Views |
August 08, 2007, 06:54:32 PM by scope |
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UFF atom types
Started by hmsenn |
1 Replies
12459 Views |
August 07, 2007, 05:21:14 PM by uwe |
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0 Replies
9835 Views |
September 24, 2008, 11:01:30 AM by slackenerny |
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Uranium basis sets
Started by JakubV |
1 Replies
10512 Views |
September 06, 2016, 07:48:17 PM by antti_karttunen |
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1 Replies
9625 Views |
April 05, 2023, 07:16:02 PM by uwe |
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