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Diffuse def2 basis sets in Turbomole 6.3
Started by hmsenn |
1 Replies
9753 Views |
April 18, 2011, 04:58:37 PMby uwe |
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diffuse basis set
Started by Turboooo |
2 Replies
5508 Views |
March 15, 2013, 05:47:50 PM by Turboooo |
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1 Replies
4562 Views |
October 01, 2015, 11:14:53 AM by christof.haettig |
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0 Replies
6280 Views |
November 27, 2007, 10:06:09 AM by antti_karttunen |
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D3 Dispersion corrections to gradients
Started by 175116 |
3 Replies
8397 Views |
October 19, 2011, 03:08:49 PM by uwe |
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D3 Dispersion correction
Started by 175116 |
1 Replies
5746 Views |
October 17, 2011, 06:52:36 PM by 175116 |
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1 Replies
5230 Views |
March 31, 2016, 03:53:41 PM by amavr78 |
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compilation time
Started by hilke |
1 Replies
6318 Views |
January 31, 2008, 04:08:01 PM by uwe |
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5 Replies
12575 Views |
May 27, 2009, 11:51:14 AM by christof.haettig |
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2 Replies
11637 Views |
April 24, 2008, 04:57:05 PM by bademoor |
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CCSD for excited states in TM 6.4 ???
Started by evgeniy |
0 Replies
4614 Views |
September 05, 2012, 01:18:48 PM by evgeniy |
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cbas for lanthanides
Started by ChristophM |
0 Replies
4191 Views |
November 19, 2013, 09:14:02 AM by ChristophM |
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cartesian coordinates
Started by Jandir |
2 Replies
5117 Views |
November 25, 2013, 03:10:35 AM by Jandir |
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1 Replies
4044 Views |
March 10, 2022, 09:56:35 AM by uwe |
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BSSE Problem with ECP's?
Started by pandaaka |
5 Replies
8718 Views |
May 10, 2010, 02:21:47 PM by uwe |
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0 Replies
4502 Views |
December 27, 2015, 11:27:08 PM by Wilberth Narvaez |
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BSSE calculations
Started by juanjo |
3 Replies
8464 Views |
September 20, 2012, 03:46:10 PM by uwe |
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Basis set or method for Fe complex
Started by methane |
1 Replies
8073 Views |
March 14, 2007, 07:44:13 AM by antti_karttunen |
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Basis set modification after 'blowup'
Started by luyj |
1 Replies
4576 Views |
September 30, 2015, 10:37:33 AM by christof.haettig |
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Alternate SCF algorithms?
Started by jad1507 |
0 Replies
4346 Views |
May 07, 2021, 12:05:20 PM by jad1507 |
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