| Subject / Started by | Replies / Views | Last post  |
||
|---|---|---|---|---|
|
|
Basis set modification after 'blowup'
Started by luyj |
1 Replies
4450 Views |
September 30, 2015, 10:37:33 AMby christof.haettig |
|
|
|
Peptide geometry optimization
Started by dusan |
3 Replies
5318 Views |
September 30, 2015, 03:07:48 PM by christof.haettig |
|
|
|
1 Replies
4443 Views |
October 01, 2015, 11:14:53 AM by christof.haettig |
|
|
|
|
PEECM calculations
Started by helali |
0 Replies
4032 Views |
November 16, 2015, 01:43:19 PM by helali |
|
|
|
mos file: AO basis function order and norm?
Started by Jonas |
4 Replies
12003 Views |
December 10, 2015, 04:02:45 PM by uwe |
|
|
|
1 Replies
4703 Views |
December 18, 2015, 10:41:45 AM by christof.haettig |
|
|
|
|
0 Replies
4377 Views |
December 27, 2015, 11:27:08 PM by Wilberth Narvaez |
|
|
|
|
Predict XRD pattern
Started by Wilberth Narvaez |
0 Replies
4466 Views |
February 08, 2016, 06:33:29 PM by Wilberth Narvaez |
|
|
|
Freeh
Started by Wilberth Narvaez |
1 Replies
5056 Views |
February 17, 2016, 01:05:39 PM by Arnim |
|
|
|
1 Replies
5104 Views |
March 31, 2016, 03:53:41 PM by amavr78 |
|
|
|
|
Problem with AOMix
Started by mwoch |
7 Replies
9073 Views |
July 08, 2016, 11:24:08 AM by riteshruhela |
|
|
|
freeh - entropy
Started by foea |
6 Replies
10130 Views |
September 01, 2016, 03:12:37 PM by mpjohans |
|
|
|
1 Replies
6778 Views |
September 06, 2016, 02:52:33 PM by JakubV |
|
|
|
|
Uranium basis sets
Started by JakubV |
1 Replies
5443 Views |
September 06, 2016, 07:48:17 PM by antti_karttunen |
|
|
|
1 Replies
5783 Views |
October 07, 2016, 02:11:43 PM by christof.haettig |
|
|
|
|
resp charges with turbomole
Started by cesca_lb |
2 Replies
6638 Views |
November 26, 2016, 11:20:41 AM by cesca_lb |
|
|
|
Problems with TURBOMOLE - sTDA program
Started by inozerox |
2 Replies
5813 Views |
May 10, 2017, 06:30:39 PM by inozerox |
|
|
|
visualizing natural orbitals
Started by patrikrydberg |
3 Replies
11813 Views |
October 16, 2017, 11:54:48 AM by mansaribhu |
|
|
|
Global Minimum
Started by kiranb |
0 Replies
3778 Views |
February 23, 2018, 11:16:51 PM by kiranb |
|
|
|
Maximum number of atoms
Started by mike |
2 Replies
8068 Views |
March 09, 2018, 11:07:42 AM by uwe |
Normal Topic
Hot Topic (More than 15 replies)
Very Hot Topic (More than 25 replies)
Locked Topic
Sticky Topic