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option -proper
Started by arek1arek |
3 Replies
9594 Views |
March 14, 2008, 05:30:48 PMby uwe |
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1 Replies
7669 Views |
May 29, 2012, 12:43:05 PM by e.berardo |
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3 Replies
4854 Views |
October 22, 2020, 05:47:13 PM by jfurness |
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plotting density of open shell
Started by cavallo |
3 Replies
10277 Views |
September 04, 2008, 10:02:22 AM by mpjohans |
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plt tool mislabelling atoms with ECPs
Started by Dempsey |
1 Replies
3623 Views |
May 14, 2022, 10:18:52 PM by uwe |
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Population analysis new vs old (moloch)
Started by Robin1991 |
2 Replies
3234 Views |
March 24, 2024, 05:57:16 PM by christof.haettig |
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Printing overlap/fock matrix
Started by Molcasito |
3 Replies
8946 Views |
July 11, 2008, 04:20:57 PM by Molcasito |
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1 Replies
6013 Views |
November 18, 2010, 06:14:50 PM by christof.haettig |
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Problems with PABOON MAO selection options
Started by wb |
4 Replies
9569 Views |
December 18, 2013, 07:06:01 AM by himansu |
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2 Replies
7500 Views |
July 10, 2008, 03:46:50 PM by uwe |
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QTAIM for periodic calculations
Started by max_sam |
0 Replies
3783 Views |
December 02, 2021, 04:59:06 PM by max_sam |
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quadrupole moments
Started by a.karl |
1 Replies
10470 Views |
March 04, 2008, 10:32:28 AM by christof.haettig |
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1 Replies
6430 Views |
November 17, 2016, 05:21:19 PM by christof.haettig |
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questions on t2x
Started by zhangustc |
5 Replies
10562 Views |
July 02, 2008, 10:54:54 AM by martijn |
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Radius of Hydrogen used in $esp_fit kollman
Started by Hauke |
0 Replies
5538 Views |
December 14, 2012, 01:07:13 AM by Hauke |
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readable RIMP2 spin density
Started by tom77 |
1 Replies
6361 Views |
September 26, 2007, 04:49:44 PM by antti_karttunen |
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1 Replies
6072 Views |
January 20, 2011, 02:33:01 PM by christof.haettig |
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0 Replies
6932 Views |
July 14, 2011, 02:51:03 PM by greisen |
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Set multiplicity on Turbomole
Started by Glxblt76 |
1 Replies
6073 Views |
April 23, 2019, 11:25:58 AM by Arnim |
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6 Replies
4078 Views |
July 11, 2022, 01:11:21 PM by prasanta13 |
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