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heavy atoms without ecp
Started by fru14909 |
4 Replies
5331 Views |
March 02, 2021, 12:31:33 PMby Scoops |
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1 Replies
838 Views |
October 06, 2020, 06:56:33 PM by uwe |
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EHT for copper
Started by agnesst |
3 Replies
672 Views |
September 10, 2020, 07:50:46 PM by uwe |
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define on Windows
Started by Glxblt76 |
1 Replies
1015 Views |
June 06, 2020, 03:00:41 PM by uwe |
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EHT in command line
Started by djelenfi |
2 Replies
1201 Views |
March 06, 2020, 10:33:59 AM by uwe |
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Turbmole define error
Started by saikat403 |
1 Replies
2686 Views |
September 20, 2019, 03:47:06 PM by uwe |
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Bug in damp within DEFINE script?
Started by Glxblt76 |
2 Replies
2992 Views |
April 02, 2019, 07:06:17 AM by Glxblt76 |
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How to comment in define input file
Started by xiang |
2 Replies
2308 Views |
March 31, 2019, 07:37:20 PM by uwe |
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1 Replies
3206 Views |
January 18, 2019, 05:26:31 PM by uwe |
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5 Replies
4056 Views |
September 10, 2018, 09:45:45 PM by uwe |
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4 Replies
3775 Views |
August 23, 2018, 12:28:46 PM by evgeniy |
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0 Replies
1829 Views |
August 20, 2018, 02:03:21 PM by evgeniy |
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Ion Pairing
Started by ali.raza1989 |
0 Replies
1882 Views |
August 16, 2018, 12:09:23 PM by ali.raza1989 |
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4 Replies
2970 Views |
August 15, 2018, 06:15:42 PM by uwe |
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2 Replies
3022 Views |
June 13, 2018, 12:32:43 AM by martijn |
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Turbomole parallel error
Started by kshatresh |
1 Replies
3638 Views |
February 01, 2018, 03:56:34 PM by uwe |
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EHT dimension problem
Started by Raffaele Credendino |
7 Replies
10427 Views |
November 15, 2017, 05:23:04 AM by juhidutta |
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No cc-pVDZ-PP auxiliary basis for Iridium
Started by evgeniy |
0 Replies
3248 Views |
June 01, 2017, 01:46:39 PM by evgeniy |
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How to use "scanprep" script?
Started by ztehrani |
1 Replies
3860 Views |
May 16, 2017, 04:21:20 PM by Arnim |
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error in definite matrix
Started by ztehrani |
0 Replies
3020 Views |
May 12, 2017, 01:00:56 PM by ztehrani |
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