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0 Replies
4663 Views |
April 21, 2011, 04:08:40 PMby pandaaka |
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TDDFT-Transition densities
Started by Pandiselvi |
1 Replies
3743 Views |
September 15, 2022, 10:35:28 AM by t-iwasa |
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6 Replies
4097 Views |
July 11, 2022, 01:11:21 PM by prasanta13 |
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6 Replies
5095 Views |
March 10, 2022, 01:16:19 PM by prasanta13 |
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Different results between t2x and t2x -c
Started by rkloditz |
2 Replies
4663 Views |
October 09, 2020, 11:05:06 AM by rkloditz |
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Population analysis new vs old (moloch)
Started by Robin1991 |
2 Replies
3249 Views |
March 24, 2024, 05:57:16 PM by christof.haettig |
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does the .cube write work at all?
Started by sampsa |
3 Replies
8016 Views |
March 20, 2012, 03:20:35 PM by JanM |
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1 Replies
5828 Views |
October 07, 2016, 02:15:27 PM by christof.haettig |
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Generate WFN file
Started by scope |
2 Replies
17007 Views |
June 02, 2008, 04:44:03 PM by christof.haettig |
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Calculation of spin population
Started by sebastian.miranda |
1 Replies
6174 Views |
November 18, 2010, 06:12:23 PM by christof.haettig |
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Cube file export: erroneous shift?
Started by sheidrich |
2 Replies
8039 Views |
May 23, 2019, 05:21:46 PM by sheidrich |
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dipole moment
Started by shima |
1 Replies
7382 Views |
November 30, 2012, 08:37:05 AM by zelsan |
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2 Replies
7512 Views |
July 10, 2008, 03:46:50 PM by uwe |
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5 Replies
11588 Views |
June 04, 2008, 11:43:10 AM by uwe |
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Dipolcalculations using moloch
Started by Stefan |
0 Replies
5672 Views |
September 25, 2007, 04:01:20 PM by Stefan |
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calculating charges on excited state
Started by sv |
1 Replies
7143 Views |
April 15, 2008, 04:40:56 PM by christof.haettig |
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0 Replies
3514 Views |
September 15, 2022, 10:38:37 AM by t-iwasa |
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WARNING: HOMO-LUMO Gap is negativ
Started by tanguyv |
3 Replies
19931 Views |
June 16, 2009, 10:35:50 AM by tanguyv |
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B3LYP orbitals
Started by tayed |
0 Replies
4929 Views |
April 12, 2012, 05:08:52 PM by tayed |
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How generate wfn file in TM V6.3
Started by tayed |
4 Replies
11859 Views |
February 26, 2013, 07:52:04 PM by Hauke |
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