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1 Replies
7669 Views |
May 29, 2012, 12:43:05 PMby e.berardo |
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Bond dissociation energy
Started by Morgan |
1 Replies
7870 Views |
April 29, 2009, 09:31:57 AM by andreas |
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Cube format and ECPs
Started by antti_karttunen |
2 Replies
7893 Views |
March 06, 2008, 11:40:17 AM by antti_karttunen |
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Generating .plt file
Started by dps17 |
2 Replies
7905 Views |
April 17, 2007, 11:04:54 PM by dps17 |
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does the .cube write work at all?
Started by sampsa |
3 Replies
8004 Views |
March 20, 2012, 03:20:35 PM by JanM |
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Cube file export: erroneous shift?
Started by sheidrich |
2 Replies
8024 Views |
May 23, 2019, 05:21:46 PM by sheidrich |
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x2t convergence factor
Started by klickklack |
1 Replies
8073 Views |
February 25, 2009, 03:17:22 PM by uwe |
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Electrostatic potential map
Started by mariavd |
2 Replies
8163 Views |
May 11, 2016, 11:53:47 AM by mariavd |
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Mulliken spin densities
Started by acapobia |
2 Replies
8173 Views |
February 11, 2014, 10:32:32 AM by acapobia |
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Atomic Orbital Contributions to MO
Started by Gopakumar |
2 Replies
8300 Views |
May 13, 2007, 02:37:27 PM by christof.haettig |
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differential density
Started by arek1arek |
1 Replies
8327 Views |
March 27, 2008, 08:10:36 PM by arek1arek |
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1 Replies
8680 Views |
April 15, 2008, 04:44:05 PM by christof.haettig |
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Printing overlap/fock matrix
Started by Molcasito |
3 Replies
8947 Views |
July 11, 2008, 04:20:57 PM by Molcasito |
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TURBOMOLE and Cube format
Started by I.Swart |
2 Replies
9406 Views |
October 18, 2007, 09:04:27 AM by I.Swart |
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Mullikan Charges Confusing
Started by kmkumar |
2 Replies
9431 Views |
October 11, 2013, 04:35:28 PM by uwe |
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3 Replies
9490 Views |
January 05, 2014, 11:27:53 PM by woland |
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Problems with PABOON MAO selection options
Started by wb |
4 Replies
9570 Views |
December 18, 2013, 07:06:01 AM by himansu |
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option -proper
Started by arek1arek |
3 Replies
9595 Views |
March 14, 2008, 05:30:48 PM by uwe |
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Visualization
Started by Gopakumar |
2 Replies
10026 Views |
January 22, 2007, 02:17:44 PM by antti_karttunen |
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How to generat file47 for gennbo (NBO7)
Started by KrisR |
6 Replies
10159 Views |
March 24, 2024, 06:00:38 PM by christof.haettig |
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