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D3 Dispersion corrections to gradients
Started by 175116 |
3 Replies
8204 Views |
October 19, 2011, 03:08:49 PMby uwe |
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tm2molden in v.5.9
Started by Tobias_S |
3 Replies
8109 Views |
May 30, 2007, 09:29:22 PM by uwe |
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Freeh - linear molecules
Started by Ian K |
4 Replies
8014 Views |
October 26, 2010, 04:15:55 PM by Ian K |
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Maximum number of atoms
Started by mike |
2 Replies
8008 Views |
March 09, 2018, 11:07:42 AM by uwe |
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Basis set or method for Fe complex
Started by methane |
1 Replies
7854 Views |
March 14, 2007, 07:44:13 AM by antti_karttunen |
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5 Replies
7849 Views |
February 11, 2015, 11:36:37 PM by cediev87 |
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spin contrained UHF calculations.
Started by topherson |
2 Replies
7171 Views |
September 03, 2015, 12:20:05 PM by topherson |
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2 Replies
7169 Views |
May 10, 2007, 11:01:08 PM by turbomaster |
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Force constants calculation
Started by juanjo |
1 Replies
7010 Views |
May 19, 2008, 09:56:55 AM by uwe |
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Turbomole to cif conversion ?
Started by scope |
0 Replies
6953 Views |
August 08, 2007, 06:54:32 PM by scope |
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UFF atom types
Started by hmsenn |
1 Replies
6925 Views |
August 07, 2007, 05:21:14 PM by uwe |
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1 Replies
6856 Views |
May 31, 2013, 01:43:53 PM by Turboooo |
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0 Replies
6781 Views |
March 09, 2018, 06:54:33 PM by jfurness |
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1 Replies
6724 Views |
September 06, 2016, 02:52:33 PM by JakubV |
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2 Replies
6722 Views |
August 11, 2011, 06:17:07 PM by christof.haettig |
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electric field
Started by sdTurb |
1 Replies
6623 Views |
September 11, 2008, 04:28:41 PM by uwe |
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Few comments on Turbomole 5.10
Started by antti_karttunen |
1 Replies
6582 Views |
January 30, 2008, 03:32:49 PM by uwe |
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potential surface scan
Started by saikat403 |
2 Replies
6573 Views |
October 11, 2019, 09:39:34 PM by saikat403 |
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resp charges with turbomole
Started by cesca_lb |
2 Replies
6565 Views |
November 26, 2016, 11:20:41 AM by cesca_lb |
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Huge Binaries
Started by idet2 |
2 Replies
6233 Views |
June 30, 2009, 08:43:15 AM by idet2 |
Normal Topic
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