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1 Replies
6417 Views |
November 17, 2016, 05:21:19 PMby christof.haettig |
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quadrupole moments
Started by a.karl |
1 Replies
10366 Views |
March 04, 2008, 10:32:28 AM by christof.haettig |
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QTAIM for periodic calculations
Started by max_sam |
0 Replies
3668 Views |
December 02, 2021, 04:59:06 PM by max_sam |
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2 Replies
7481 Views |
July 10, 2008, 03:46:50 PM by uwe |
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Problems with PABOON MAO selection options
Started by wb |
4 Replies
9559 Views |
December 18, 2013, 07:06:01 AM by himansu |
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1 Replies
5992 Views |
November 18, 2010, 06:14:50 PM by christof.haettig |
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Printing overlap/fock matrix
Started by Molcasito |
3 Replies
8925 Views |
July 11, 2008, 04:20:57 PM by Molcasito |
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Population analysis new vs old (moloch)
Started by Robin1991 |
2 Replies
3108 Views |
March 24, 2024, 05:57:16 PM by christof.haettig |
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plt tool mislabelling atoms with ECPs
Started by Dempsey |
1 Replies
3503 Views |
May 14, 2022, 10:18:52 PM by uwe |
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plotting density of open shell
Started by cavallo |
3 Replies
10250 Views |
September 04, 2008, 10:02:22 AM by mpjohans |
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3 Replies
4727 Views |
October 22, 2020, 05:47:13 PM by jfurness |
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1 Replies
7658 Views |
May 29, 2012, 12:43:05 PM by e.berardo |
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option -proper
Started by arek1arek |
3 Replies
9559 Views |
March 14, 2008, 05:30:48 PM by uwe |
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negative oscillator strengths
Started by vspata0 |
0 Replies
5781 Views |
November 21, 2013, 08:29:50 PM by vspata0 |
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Mulliken spin densities
Started by acapobia |
2 Replies
8160 Views |
February 11, 2014, 10:32:32 AM by acapobia |
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2 Replies
3192 Views |
May 31, 2023, 12:33:41 PM by Dempsey |
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4 Replies
10869 Views |
February 12, 2009, 12:11:43 AM by acapobia |
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3 Replies
9475 Views |
January 05, 2014, 11:27:53 PM by woland |
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Mullikan Charges Confusing
Started by kmkumar |
2 Replies
9414 Views |
October 11, 2013, 04:35:28 PM by uwe |
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1 Replies
5674 Views |
October 24, 2012, 07:43:55 PM by acapobia |
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