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Predict XRD pattern
Started by Wilberth Narvaez |
0 Replies
4431 Views |
February 08, 2016, 06:33:29 PMby Wilberth Narvaez |
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CCSD for excited states in TM 6.4 ???
Started by evgeniy |
0 Replies
4459 Views |
September 05, 2012, 01:18:48 PM by evgeniy |
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Run BSSE with PBE-def2-QZVPPD
Started by prasanta13 |
5 Replies
4478 Views |
March 08, 2022, 05:25:04 AM by prasanta13 |
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Parallelization of jobbsse
Started by mario8eren |
1 Replies
4486 Views |
September 30, 2015, 10:31:31 AM by christof.haettig |
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File Permissions
Started by scope |
0 Replies
4633 Views |
May 11, 2009, 11:21:46 AM by scope |
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File Permissions
Started by scope |
0 Replies
4663 Views |
May 11, 2009, 11:24:04 AM by scope |
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1 Replies
4667 Views |
December 18, 2015, 10:41:45 AM by christof.haettig |
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0 Replies
4675 Views |
February 17, 2011, 08:05:28 AM by tosa |
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Jobbsse Problem
Started by idet2 |
0 Replies
4721 Views |
June 26, 2009, 08:54:44 AM by idet2 |
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internal reaction coordinate
Started by jbaltrus |
0 Replies
4861 Views |
June 27, 2010, 01:01:52 AM by jbaltrus |
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1 Replies
4950 Views |
September 18, 2020, 11:48:53 AM by uwe |
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cartesian coordinates
Started by Jandir |
2 Replies
4961 Views |
November 25, 2013, 03:10:35 AM by Jandir |
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electrostatic field
Started by Aleksandar Staykov |
0 Replies
5011 Views |
January 12, 2020, 04:08:57 PM by Aleksandar Staykov |
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Freeh
Started by Wilberth Narvaez |
1 Replies
5018 Views |
February 17, 2016, 01:05:39 PM by Arnim |
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Double-Hybrid Density Functionals (DHDF)
Started by ok |
0 Replies
5044 Views |
May 21, 2009, 01:15:30 PM by ok |
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1 Replies
5065 Views |
March 31, 2016, 03:53:41 PM by amavr78 |
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Peptide geometry optimization
Started by dusan |
3 Replies
5279 Views |
September 30, 2015, 03:07:48 PM by christof.haettig |
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diffuse basis set
Started by Turboooo |
2 Replies
5353 Views |
March 15, 2013, 05:47:50 PM by Turboooo |
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Heavy elements and relativistic effects
Started by JakubV |
9 Replies
5372 Views |
April 20, 2023, 10:33:25 AM by uwe |
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Uranium basis sets
Started by JakubV |
1 Replies
5406 Views |
September 06, 2016, 07:48:17 PM by antti_karttunen |
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