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Ordering of g orbitals
Started by sergio |
0 Replies
18768 Views |
May 22, 2012, 03:04:14 PMby sergio |
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external basis
Started by segalemb |
3 Replies
37791 Views |
May 09, 2012, 12:44:32 PM by uwe |
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D3 Dispersion corrections to gradients
Started by 175116 |
3 Replies
25415 Views |
October 19, 2011, 03:08:49 PM by uwe |
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D3 Dispersion correction
Started by 175116 |
1 Replies
32930 Views |
October 17, 2011, 06:52:36 PM by 175116 |
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2 Replies
24022 Views |
August 11, 2011, 06:17:07 PM by christof.haettig |
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Diffuse def2 basis sets in Turbomole 6.3
Started by hmsenn |
1 Replies
38827 Views |
April 18, 2011, 04:58:37 PM by uwe |
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0 Replies
29741 Views |
February 17, 2011, 08:05:28 AM by tosa |
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Freeh - linear molecules
Started by Ian K |
4 Replies
28446 Views |
October 26, 2010, 04:15:55 PM by Ian K |
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0 Replies
19500 Views |
July 13, 2010, 06:35:05 PM by Jonas |
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internal reaction coordinate
Started by jbaltrus |
0 Replies
29637 Views |
June 27, 2010, 01:01:52 AM by jbaltrus |
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BSSE Problem with ECP's?
Started by pandaaka |
5 Replies
31825 Views |
May 10, 2010, 02:21:47 PM by uwe |
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point charges and cosmo
Started by patrikrydberg |
1 Replies
37218 Views |
February 15, 2010, 11:02:02 AM by Arnim |
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freeh module and contractions
Started by jan |
1 Replies
42290 Views |
August 12, 2009, 03:48:13 PM by Arnim |
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Huge Binaries
Started by idet2 |
2 Replies
52283 Views |
June 30, 2009, 08:43:15 AM by idet2 |
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Jobbsse Problem
Started by idet2 |
0 Replies
30704 Views |
June 26, 2009, 08:54:44 AM by idet2 |
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how to run JOBBSSE
Started by ok |
1 Replies
45686 Views |
June 15, 2009, 02:04:36 PM by christof.haettig |
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5 Replies
65199 Views |
May 27, 2009, 11:51:14 AM by christof.haettig |
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Double-Hybrid Density Functionals (DHDF)
Started by ok |
0 Replies
38161 Views |
May 21, 2009, 01:15:30 PM by ok |
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tm2molden, norm of d-functions
Started by sebastian |
1 Replies
44846 Views |
May 18, 2009, 02:02:40 PM by CoJack |
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File Permissions
Started by scope |
0 Replies
38013 Views |
May 11, 2009, 11:24:04 AM by scope |
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