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intrinsic-atomic dipole moment
Started by Mohammad |
0 Replies
235 Views |
December 05, 2020, 09:04:32 PMby Mohammad |
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3 Replies
386 Views |
October 22, 2020, 05:47:13 PM by jfurness |
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Different results between t2x and t2x -c
Started by rkloditz |
2 Replies
300 Views |
October 09, 2020, 11:05:06 AM by rkloditz |
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[HowTo] Generate NTOs from TDDFT
Started by finrod |
0 Replies
1027 Views |
March 17, 2020, 11:08:54 AM by finrod |
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How to generat file47 for gennbo (NBO7)
Started by KrisR |
4 Replies
4157 Views |
July 18, 2019, 02:56:45 PM by KrisR |
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Cube file export: erroneous shift?
Started by sheidrich |
2 Replies
3365 Views |
May 23, 2019, 05:21:46 PM by sheidrich |
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hyperpolarizability
Started by jtravers |
1 Replies
1799 Views |
April 23, 2019, 11:27:48 AM by Arnim |
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Set multiplicity on Turbomole
Started by Glxblt76 |
1 Replies
1663 Views |
April 23, 2019, 11:25:58 AM by Arnim |
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Electrostatic potential
Started by djelenfi |
2 Replies
2082 Views |
March 28, 2019, 04:56:42 PM by djelenfi |
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EDD visualization
Started by valienpo |
4 Replies
2475 Views |
February 28, 2019, 02:36:47 PM by valienpo |
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Hirshfeld charges
Started by Andreas Heyden |
1 Replies
1768 Views |
February 27, 2019, 08:21:44 PM by uwe |
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1 Replies
4722 Views |
November 17, 2016, 05:21:19 PM by christof.haettig |
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1 Replies
3810 Views |
October 07, 2016, 02:22:23 PM by christof.haettig |
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1 Replies
4013 Views |
October 07, 2016, 02:15:27 PM by christof.haettig |
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Electrostatic potential map
Started by mariavd |
2 Replies
5846 Views |
May 11, 2016, 11:53:47 AM by mariavd |
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3 Replies
11508 Views |
October 14, 2015, 10:47:38 AM by CharlesG |
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WFN for two-component wave function
Started by mamaouch |
0 Replies
4010 Views |
August 24, 2015, 12:36:09 PM by mamaouch |
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2 Replies
7982 Views |
July 08, 2015, 02:41:39 PM by uwe |
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Mulliken spin densities
Started by acapobia |
2 Replies
6672 Views |
February 11, 2014, 10:32:32 AM by acapobia |
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3 Replies
7860 Views |
January 05, 2014, 11:27:53 PM by woland |
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