| Subject / Started by | Replies / Views | Last post  |
||
|---|---|---|---|---|
|
|
2 Replies
7482 Views |
July 10, 2008, 03:46:50 PMby uwe |
|
|
|
|
Printing overlap/fock matrix
Started by Molcasito |
3 Replies
8927 Views |
July 11, 2008, 04:20:57 PM by Molcasito |
|
|
|
plotting density of open shell
Started by cavallo |
3 Replies
10260 Views |
September 04, 2008, 10:02:22 AM by mpjohans |
|
|
|
4 Replies
10873 Views |
February 12, 2009, 12:11:43 AM by acapobia |
|
|
|
|
x2t convergence factor
Started by klickklack |
1 Replies
8057 Views |
February 25, 2009, 03:17:22 PM by uwe |
|
|
|
Bond dissociation energy
Started by Morgan |
1 Replies
7853 Views |
April 29, 2009, 09:31:57 AM by andreas |
|
|
|
WARNING: HOMO-LUMO Gap is negativ
Started by tanguyv |
3 Replies
19898 Views |
June 16, 2009, 10:35:50 AM by tanguyv |
|
|
|
Faulty wfn files
Started by hmsenn |
8 Replies
15261 Views |
July 11, 2009, 11:37:08 AM by sebastian |
|
|
|
Fluorescence figure and $exopt add
Started by wuhen |
2 Replies
6539 Views |
September 11, 2009, 03:28:14 PM by wuhen |
|
|
|
2 Replies
7298 Views |
October 09, 2009, 03:09:34 PM by wuhen |
|
|
|
|
MO calculation
Started by wuhen |
2 Replies
6582 Views |
October 23, 2009, 02:17:11 PM by wuhen |
|
|
|
molecular orbital
Started by wuhen |
2 Replies
6566 Views |
December 12, 2009, 09:54:53 AM by wuhen |
|
|
|
Error message with tm2molden
Started by lasermichel |
0 Replies
5126 Views |
March 08, 2010, 10:47:31 AM by lasermichel |
|
|
|
$wfn - 'too many iterations in tqli'
Started by pandaaka |
0 Replies
6502 Views |
March 15, 2010, 04:54:28 PM by pandaaka |
|
|
|
0 Replies
5234 Views |
March 31, 2010, 11:36:27 AM by evgeniy |
|
|
|
|
0 Replies
5475 Views |
March 31, 2010, 04:51:54 PM by evgeniy |
|
|
|
|
methods for a quality CD spectrum
Started by jbaltrus |
1 Replies
5895 Views |
July 20, 2010, 05:51:22 PM by christof.haettig |
|
|
|
MOs decomposition using NBO analysis
Started by Jakub |
1 Replies
6685 Views |
October 25, 2010, 01:23:41 PM by Arnim |
|
|
|
can't use t2x
Started by jbaltrus |
1 Replies
6415 Views |
November 18, 2010, 06:00:38 PM by christof.haettig |
|
|
|
Calculation of spin population
Started by sebastian.miranda |
1 Replies
6145 Views |
November 18, 2010, 06:12:23 PM by christof.haettig |
Normal Topic
Hot Topic (More than 15 replies)
Very Hot Topic (More than 25 replies)
Locked Topic
Sticky Topic