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Replies / Views | Last post | ||
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Different results between t2x and t2x -c
Started by rkloditz |
2 Replies
4005 Views |
October 09, 2020, 11:05:06 AMby rkloditz |
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differential density
Started by arek1arek |
1 Replies
8268 Views |
March 27, 2008, 08:10:36 PM by arek1arek |
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Dipolcalculations using moloch
Started by Stefan |
0 Replies
5604 Views |
September 25, 2007, 04:01:20 PM by Stefan |
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dipole moment
Started by shima |
1 Replies
7334 Views |
November 30, 2012, 08:37:05 AM by zelsan |
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does the .cube write work at all?
Started by sampsa |
3 Replies
7969 Views |
March 20, 2012, 03:20:35 PM by JanM |
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EDD visualization
Started by valienpo |
4 Replies
4293 Views |
February 28, 2019, 02:36:47 PM by valienpo |
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egrad does not write ed.plt
Started by antti_karttunen |
2 Replies
7215 Views |
June 26, 2008, 11:23:30 AM by antti_karttunen |
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Electrostatic potential
Started by djelenfi |
2 Replies
3901 Views |
March 28, 2019, 04:56:42 PM by djelenfi |
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Electrostatic potential map
Started by mariavd |
2 Replies
8108 Views |
May 11, 2016, 11:53:47 AM by mariavd |
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Error message with tm2molden
Started by lasermichel |
0 Replies
5096 Views |
March 08, 2010, 10:47:31 AM by lasermichel |
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Faulty wfn files
Started by hmsenn |
8 Replies
15232 Views |
July 11, 2009, 11:37:08 AM by sebastian |
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Fluorescence figure and $exopt add
Started by wuhen |
2 Replies
6512 Views |
September 11, 2009, 03:28:14 PM by wuhen |
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freeH partition function calculation
Started by Dempsey |
3 Replies
2583 Views |
July 11, 2023, 07:43:33 PM by Dempsey |
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Generate WFN file
Started by scope |
2 Replies
16934 Views |
June 02, 2008, 04:44:03 PM by christof.haettig |
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Generating .plt file
Started by dps17 |
2 Replies
7814 Views |
April 17, 2007, 11:04:54 PM by dps17 |
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Hirshfeld charges
Started by Andreas Heyden |
1 Replies
3372 Views |
February 27, 2019, 08:21:44 PM by uwe |
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How generate wfn file in TM V6.3
Started by tayed |
4 Replies
11797 Views |
February 26, 2013, 07:52:04 PM by Hauke |
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how to calculate the spin natural orbital
Started by ardie |
0 Replies
5372 Views |
November 13, 2012, 01:35:05 PM by ardie |
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2 Replies
10293 Views |
July 08, 2015, 02:41:39 PM by uwe |
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How to generat file47 for gennbo (NBO7)
Started by KrisR |
6 Replies
9347 Views |
March 24, 2024, 06:00:38 PM by christof.haettig |
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