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Uranium basis sets
Started by JakubV |
1 Replies
5358 Views |
September 06, 2016, 07:48:17 PMby antti_karttunen |
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IRC calculations
Started by cml |
1 Replies
6068 Views |
January 16, 2014, 01:23:14 PM by Arnim |
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1 Replies
6845 Views |
May 31, 2013, 01:43:53 PM by Turboooo |
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Freeh
Started by Wilberth Narvaez |
1 Replies
4982 Views |
February 17, 2016, 01:05:39 PM by Arnim |
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1 Replies
5701 Views |
October 07, 2016, 02:11:43 PM by christof.haettig |
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Ecp for Cu atom
Started by lsikk |
1 Replies
9905 Views |
March 22, 2007, 09:13:03 PM by antti_karttunen |
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UFF atom types
Started by hmsenn |
1 Replies
6907 Views |
August 07, 2007, 05:21:14 PM by uwe |
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1 Replies
4642 Views |
December 18, 2015, 10:41:45 AM by christof.haettig |
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Force constants calculation
Started by juanjo |
1 Replies
6994 Views |
May 19, 2008, 09:56:55 AM by uwe |
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Basis set or method for Fe complex
Started by methane |
1 Replies
7828 Views |
March 14, 2007, 07:44:13 AM by antti_karttunen |
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1 Replies
5016 Views |
March 31, 2016, 03:53:41 PM by amavr78 |
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tm2molden, norm of d-functions
Started by sebastian |
1 Replies
5503 Views |
May 18, 2009, 02:02:40 PM by CoJack |
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electric field
Started by sdTurb |
1 Replies
6607 Views |
September 11, 2008, 04:28:41 PM by uwe |
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compilation time
Started by hilke |
1 Replies
6105 Views |
January 31, 2008, 04:08:01 PM by uwe |
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Few comments on Turbomole 5.10
Started by antti_karttunen |
1 Replies
6565 Views |
January 30, 2008, 03:32:49 PM by uwe |
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how to run JOBBSSE
Started by ok |
1 Replies
6104 Views |
June 15, 2009, 02:04:36 PM by christof.haettig |
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Basis set modification after 'blowup'
Started by luyj |
1 Replies
4370 Views |
September 30, 2015, 10:37:33 AM by christof.haettig |
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1 Replies
4377 Views |
October 01, 2015, 11:14:53 AM by christof.haettig |
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Diffuse def2 basis sets in Turbomole 6.3
Started by hmsenn |
1 Replies
9556 Views |
April 18, 2011, 04:58:37 PM by uwe |
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D3 Dispersion correction
Started by 175116 |
1 Replies
5548 Views |
October 17, 2011, 06:52:36 PM by 175116 |
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