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0 Replies
5234 Views |
March 31, 2010, 11:36:27 AMby evgeniy |
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0 Replies
5251 Views |
July 13, 2011, 03:49:12 PM by Hasan |
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0 Replies
5284 Views |
May 02, 2012, 10:44:58 AM by Konstantin |
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1 Replies
5337 Views |
October 07, 2016, 02:22:23 PM by christof.haettig |
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how to calculate the spin natural orbital
Started by ardie |
0 Replies
5404 Views |
November 13, 2012, 01:35:05 PM by ardie |
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WFN for two-component wave function
Started by mamaouch |
0 Replies
5426 Views |
August 24, 2015, 12:36:09 PM by mamaouch |
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5 Replies
5431 Views |
November 28, 2023, 11:43:29 AM by uwe |
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0 Replies
5474 Views |
March 31, 2010, 04:51:54 PM by evgeniy |
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Radius of Hydrogen used in $esp_fit kollman
Started by Hauke |
0 Replies
5535 Views |
December 14, 2012, 01:07:13 AM by Hauke |
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Calculation of Multiplicity with Turbomole
Started by Lara |
1 Replies
5564 Views |
March 17, 2012, 05:30:13 PM by Arnim |
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Dipolcalculations using moloch
Started by Stefan |
0 Replies
5638 Views |
September 25, 2007, 04:01:20 PM by Stefan |
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1 Replies
5679 Views |
October 24, 2012, 07:43:55 PM by acapobia |
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negative oscillator strengths
Started by vspata0 |
0 Replies
5785 Views |
November 21, 2013, 08:29:50 PM by vspata0 |
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1 Replies
5804 Views |
October 07, 2016, 02:15:27 PM by christof.haettig |
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methods for a quality CD spectrum
Started by jbaltrus |
1 Replies
5895 Views |
July 20, 2010, 05:51:22 PM by christof.haettig |
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wavefunction analysis : CDA etc.
Started by wwwups |
0 Replies
5976 Views |
June 06, 2008, 01:48:49 AM by wwwups |
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1 Replies
5997 Views |
November 18, 2010, 06:14:50 PM by christof.haettig |
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Set multiplicity on Turbomole
Started by Glxblt76 |
1 Replies
6023 Views |
April 23, 2019, 11:25:58 AM by Arnim |
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1 Replies
6057 Views |
January 20, 2011, 02:33:01 PM by christof.haettig |
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hyperpolarizability
Started by jtravers |
1 Replies
6074 Views |
April 23, 2019, 11:27:48 AM by Arnim |
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