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Heavy elements and relativistic effects
Started by JakubV |
2 Replies
1109 Views |
March 18, 2023, 10:07:41 PMby JakubV |
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1 Replies
108 Views |
February 13, 2023, 02:58:39 PM by uwe |
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0 Replies
83 Views |
January 26, 2023, 04:06:37 PM by ym21d@fsu.edu |
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Evib module question
Started by akolio |
1 Replies
230 Views |
October 24, 2022, 02:42:10 PM by akolio |
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1 Replies
625 Views |
March 10, 2022, 09:56:35 AM by uwe |
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Run BSSE with PBE-def2-QZVPPD
Started by prasanta13 |
5 Replies
822 Views |
March 08, 2022, 05:25:04 AM by prasanta13 |
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Alternate SCF algorithms?
Started by jad1507 |
0 Replies
995 Views |
May 07, 2021, 12:05:20 PM by jad1507 |
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1 Replies
1655 Views |
September 18, 2020, 11:48:53 AM by uwe |
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0 Replies
2369 Views |
July 13, 2020, 06:51:56 PM by chris.hol |
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electrostatic field
Started by Aleksandar Staykov |
0 Replies
1782 Views |
January 12, 2020, 04:08:57 PM by Aleksandar Staykov |
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0 Replies
2437 Views |
November 22, 2019, 08:26:05 AM by saikat403 |
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potential surface scan
Started by saikat403 |
2 Replies
3538 Views |
October 11, 2019, 09:39:34 PM by saikat403 |
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2 Replies
5119 Views |
February 13, 2019, 09:17:34 PM by Desang |
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0 Replies
3815 Views |
March 09, 2018, 06:54:33 PM by jfurness |
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Maximum number of atoms
Started by mike |
2 Replies
7136 Views |
March 09, 2018, 11:07:42 AM by uwe |
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Global Minimum
Started by kiranb |
0 Replies
2988 Views |
February 23, 2018, 11:16:51 PM by kiranb |
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visualizing natural orbitals
Started by patrikrydberg |
3 Replies
10748 Views |
October 16, 2017, 11:54:48 AM by mansaribhu |
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Problems with TURBOMOLE - sTDA program
Started by inozerox |
2 Replies
4942 Views |
May 10, 2017, 06:30:39 PM by inozerox |
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resp charges with turbomole
Started by cesca_lb |
2 Replies
5660 Views |
November 26, 2016, 11:20:41 AM by cesca_lb |
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1 Replies
5036 Views |
October 07, 2016, 02:11:43 PM by christof.haettig |
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