Subject / Started by | Replies / Views | Last post | ||
---|---|---|---|---|
0 Replies
4637 Views |
April 21, 2011, 04:08:40 PM by pandaaka |
|||
TDDFT-Transition densities
Started by Pandiselvi |
1 Replies
3648 Views |
September 15, 2022, 10:35:28 AM by t-iwasa |
||
6 Replies
3986 Views |
July 11, 2022, 01:11:21 PM by prasanta13 |
|||
6 Replies
4985 Views |
March 10, 2022, 01:16:19 PM by prasanta13 |
|||
Different results between t2x and t2x -c
Started by rkloditz |
2 Replies
4563 Views |
October 09, 2020, 11:05:06 AM by rkloditz |
||
Population analysis new vs old (moloch)
Started by Robin1991 |
2 Replies
3142 Views |
March 24, 2024, 05:57:16 PM by christof.haettig |
||
does the .cube write work at all?
Started by sampsa |
3 Replies
7993 Views |
March 20, 2012, 03:20:35 PM by JanM |
||
1 Replies
5803 Views |
October 07, 2016, 02:15:27 PM by christof.haettig |
|||
Generate WFN file
Started by scope |
2 Replies
16963 Views |
June 02, 2008, 04:44:03 PM by christof.haettig |
||
Calculation of spin population
Started by sebastian.miranda |
1 Replies
6140 Views |
November 18, 2010, 06:12:23 PM by christof.haettig |
||
Cube file export: erroneous shift?
Started by sheidrich |
2 Replies
7937 Views |
May 23, 2019, 05:21:46 PM by sheidrich |
||
dipole moment
Started by shima |
1 Replies
7365 Views |
November 30, 2012, 08:37:05 AM by zelsan |
||
2 Replies
7481 Views |
July 10, 2008, 03:46:50 PM by uwe |
|||
5 Replies
11550 Views |
June 04, 2008, 11:43:10 AM by uwe |
|||
Dipolcalculations using moloch
Started by Stefan |
0 Replies
5630 Views |
September 25, 2007, 04:01:20 PM by Stefan |
||
calculating charges on excited state
Started by sv |
1 Replies
7094 Views |
April 15, 2008, 04:40:56 PM by christof.haettig |
||
0 Replies
3411 Views |
September 15, 2022, 10:38:37 AM by t-iwasa |
|||
WARNING: HOMO-LUMO Gap is negativ
Started by tanguyv |
3 Replies
19888 Views |
June 16, 2009, 10:35:50 AM by tanguyv |
||
B3LYP orbitals
Started by tayed |
0 Replies
4911 Views |
April 12, 2012, 05:08:52 PM by tayed |
||
How generate wfn file in TM V6.3
Started by tayed |
4 Replies
11829 Views |
February 26, 2013, 07:52:04 PM by Hauke |
Normal Topic
Hot Topic (More than 15 replies)
Very Hot Topic (More than 25 replies)
Locked Topic
Sticky Topic