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hyperpolarizability
Started by jtravers |
1 Replies
5395 Views |
April 23, 2019, 11:27:48 AMby Arnim |
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$wfn - 'too many iterations in tqli'
Started by pandaaka |
0 Replies
6470 Views |
March 15, 2010, 04:54:28 PM by pandaaka |
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0 Replies
6268 Views |
June 06, 2012, 05:16:54 AM by wuhen |
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0 Replies
5201 Views |
March 31, 2010, 11:36:27 AM by evgeniy |
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0 Replies
5445 Views |
March 31, 2010, 04:51:54 PM by evgeniy |
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1 Replies
5753 Views |
October 07, 2016, 02:15:27 PM by christof.haettig |
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0 Replies
5252 Views |
May 02, 2012, 10:44:58 AM by Konstantin |
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3 Replies
13033 Views |
October 14, 2015, 10:47:38 AM by CharlesG |
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atomic electron density
Started by dinos |
1 Replies
6976 Views |
May 10, 2007, 11:08:55 PM by turbomaster |
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Atomic Orbital Contributions to MO
Started by Gopakumar |
2 Replies
8218 Views |
May 13, 2007, 02:37:27 PM by christof.haettig |
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B3LYP orbitals
Started by tayed |
0 Replies
4883 Views |
April 12, 2012, 05:08:52 PM by tayed |
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Bond dissociation energy
Started by Morgan |
1 Replies
7829 Views |
April 29, 2009, 09:31:57 AM by andreas |
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6 Replies
4304 Views |
March 10, 2022, 01:16:19 PM by prasanta13 |
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calculating charges on excited state
Started by sv |
1 Replies
7061 Views |
April 15, 2008, 04:40:56 PM by christof.haettig |
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Calculation of Multiplicity with Turbomole
Started by Lara |
1 Replies
5537 Views |
March 17, 2012, 05:30:13 PM by Arnim |
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Calculation of spin population
Started by sebastian.miranda |
1 Replies
6114 Views |
November 18, 2010, 06:12:23 PM by christof.haettig |
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can't use t2x
Started by jbaltrus |
1 Replies
6385 Views |
November 18, 2010, 06:00:38 PM by christof.haettig |
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5 Replies
4692 Views |
November 28, 2023, 11:43:29 AM by uwe |
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Cube file export: erroneous shift?
Started by sheidrich |
2 Replies
7295 Views |
May 23, 2019, 05:21:46 PM by sheidrich |
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Cube format and ECPs
Started by antti_karttunen |
2 Replies
7829 Views |
March 06, 2008, 11:40:17 AM by antti_karttunen |
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