Subject  / Started by |
Replies / Views | Last post | ||
|---|---|---|---|---|
|
|
Maximum number of atoms
Started by mike |
2 Replies
8043 Views |
March 09, 2018, 11:07:42 AMby uwe |
|
|
|
2 Replies
8534 Views |
February 13, 2019, 09:17:34 PM by Desang |
|
|
|
|
mos file: AO basis function order and norm?
Started by Jonas |
4 Replies
11964 Views |
December 10, 2015, 04:02:45 PM by uwe |
|
|
|
0 Replies
5679 Views |
November 22, 2019, 08:26:05 AM by saikat403 |
|
|
|
|
0 Replies
5515 Views |
July 13, 2010, 06:35:05 PM by Jonas |
|
|
|
|
ONIOM-like calculations in TM?
Started by wwwups |
0 Replies
5711 Views |
June 27, 2008, 10:22:48 AM by wwwups |
|
|
|
0 Replies
3248 Views |
June 13, 2023, 08:06:03 AM by Kritika22 |
|
|
|
|
Ordering of g orbitals
Started by sergio |
0 Replies
6037 Views |
May 22, 2012, 03:04:14 PM by sergio |
|
|
|
2 Replies
6748 Views |
August 11, 2011, 06:17:07 PM by christof.haettig |
|
|
|
|
Parallelization of jobbsse
Started by mario8eren |
1 Replies
4492 Views |
September 30, 2015, 10:31:31 AM by christof.haettig |
|
|
|
PEECM calculations
Started by helali |
0 Replies
4001 Views |
November 16, 2015, 01:43:19 PM by helali |
|
|
|
Peptide geometry optimization
Started by dusan |
3 Replies
5283 Views |
September 30, 2015, 03:07:48 PM by christof.haettig |
|
|
|
0 Replies
7084 Views |
March 09, 2018, 06:54:33 PM by jfurness |
|
|
|
|
point charges and cosmo
Started by patrikrydberg |
1 Replies
5750 Views |
February 15, 2010, 11:02:02 AM by Arnim |
|
|
|
potential surface scan
Started by saikat403 |
2 Replies
6871 Views |
October 11, 2019, 09:39:34 PM by saikat403 |
|
|
|
Predict XRD pattern
Started by Wilberth Narvaez |
0 Replies
4436 Views |
February 08, 2016, 06:33:29 PM by Wilberth Narvaez |
|
|
|
Problem with AOMix
Started by mwoch |
7 Replies
9036 Views |
July 08, 2016, 11:24:08 AM by riteshruhela |
|
|
|
Problems with TURBOMOLE - sTDA program
Started by inozerox |
2 Replies
5782 Views |
May 10, 2017, 06:30:39 PM by inozerox |
|
|
|
3 Replies
3499 Views |
May 01, 2023, 07:39:51 PM by uwe |
|
|
|
|
Really deep SCF energies DFT (with dscf)
Started by marilu98 |
6 Replies
4104 Views |
November 29, 2023, 06:23:41 PM by uwe |
Normal Topic
Hot Topic (More than 15 replies)
Very Hot Topic (More than 25 replies)
Locked Topic
Sticky Topic