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1 Replies
239 Views |
March 10, 2022, 09:56:35 AMby uwe |
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Run BSSE with PBE-def2-QZVPPD
Started by prasanta13 |
5 Replies
349 Views |
March 08, 2022, 05:25:04 AM by prasanta13 |
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Alternate SCF algorithms?
Started by jad1507 |
0 Replies
689 Views |
May 07, 2021, 12:05:20 PM by jad1507 |
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Heavy elements and relativistic effects
Started by JakubV |
0 Replies
716 Views |
April 05, 2021, 03:44:19 PM by JakubV |
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1 Replies
1325 Views |
September 18, 2020, 11:48:53 AM by uwe |
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0 Replies
1697 Views |
July 13, 2020, 06:51:56 PM by chris.hol |
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electrostatic field
Started by Aleksandar Staykov |
0 Replies
1502 Views |
January 12, 2020, 04:08:57 PM by Aleksandar Staykov |
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0 Replies
2121 Views |
November 22, 2019, 08:26:05 AM by saikat403 |
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potential surface scan
Started by saikat403 |
2 Replies
3209 Views |
October 11, 2019, 09:39:34 PM by saikat403 |
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2 Replies
4820 Views |
February 13, 2019, 09:17:34 PM by Desang |
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0 Replies
3404 Views |
March 09, 2018, 06:54:33 PM by jfurness |
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Maximum number of atoms
Started by mike |
2 Replies
6842 Views |
March 09, 2018, 11:07:42 AM by uwe |
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Global Minimum
Started by kiranb |
0 Replies
2722 Views |
February 23, 2018, 11:16:51 PM by kiranb |
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visualizing natural orbitals
Started by patrikrydberg |
3 Replies
10321 Views |
October 16, 2017, 11:54:48 AM by mansaribhu |
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Problems with TURBOMOLE - sTDA program
Started by inozerox |
2 Replies
4636 Views |
May 10, 2017, 06:30:39 PM by inozerox |
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resp charges with turbomole
Started by cesca_lb |
2 Replies
5296 Views |
November 26, 2016, 11:20:41 AM by cesca_lb |
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1 Replies
4750 Views |
October 07, 2016, 02:11:43 PM by christof.haettig |
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Uranium basis sets
Started by JakubV |
1 Replies
4320 Views |
September 06, 2016, 07:48:17 PM by antti_karttunen |
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1 Replies
5778 Views |
September 06, 2016, 02:52:33 PM by JakubV |
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freeh - entropy
Started by foea |
6 Replies
8806 Views |
September 01, 2016, 03:12:37 PM by mpjohans |
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