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Population analysis new vs old (moloch)
Started by Robin1991 |
2 Replies
2978 Views |
March 24, 2024, 05:57:16 PMby christof.haettig |
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freeH partition function calculation
Started by Dempsey |
3 Replies
2984 Views |
July 11, 2023, 07:43:33 PM by Dempsey |
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2 Replies
3057 Views |
May 31, 2023, 12:33:41 PM by Dempsey |
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0 Replies
3251 Views |
September 15, 2022, 10:38:37 AM by t-iwasa |
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plt tool mislabelling atoms with ECPs
Started by Dempsey |
1 Replies
3374 Views |
May 14, 2022, 10:18:52 PM by uwe |
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Hirshfeld charges
Started by Andreas Heyden |
1 Replies
3401 Views |
February 27, 2019, 08:21:44 PM by uwe |
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TDDFT-Transition densities
Started by Pandiselvi |
1 Replies
3483 Views |
September 15, 2022, 10:35:28 AM by t-iwasa |
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QTAIM for periodic calculations
Started by max_sam |
0 Replies
3538 Views |
December 02, 2021, 04:59:06 PM by max_sam |
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6 Replies
3820 Views |
July 11, 2022, 01:11:21 PM by prasanta13 |
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What does the output of freeH mean?
Started by Dempsey |
2 Replies
3851 Views |
March 07, 2022, 11:03:26 AM by Dempsey |
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Electrostatic potential
Started by djelenfi |
2 Replies
3933 Views |
March 28, 2019, 04:56:42 PM by djelenfi |
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1 Replies
3936 Views |
August 26, 2021, 10:07:16 AM by Arnim |
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intrinsic-atomic dipole moment
Started by Mohammad |
0 Replies
4204 Views |
December 05, 2020, 09:04:32 PM by Mohammad |
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EDD visualization
Started by valienpo |
4 Replies
4329 Views |
February 28, 2019, 02:36:47 PM by valienpo |
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Different results between t2x and t2x -c
Started by rkloditz |
2 Replies
4395 Views |
October 09, 2020, 11:05:06 AM by rkloditz |
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3 Replies
4587 Views |
October 22, 2020, 05:47:13 PM by jfurness |
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0 Replies
4630 Views |
April 21, 2011, 04:08:40 PM by pandaaka |
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6 Replies
4802 Views |
March 10, 2022, 01:16:19 PM by prasanta13 |
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B3LYP orbitals
Started by tayed |
0 Replies
4905 Views |
April 12, 2012, 05:08:52 PM by tayed |
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Error message with tm2molden
Started by lasermichel |
0 Replies
5117 Views |
March 08, 2010, 10:47:31 AM by lasermichel |
Normal Topic
Hot Topic (More than 15 replies)
Very Hot Topic (More than 25 replies)
Locked Topic
Sticky Topic