| Subject / Started by | Replies / Views | Last post  |
||
|---|---|---|---|---|
|
|
Peptide geometry optimization
Started by dusan |
3 Replies
5625 Views |
September 30, 2015, 03:07:48 PMby christof.haettig |
|
|
|
Basis set modification after 'blowup'
Started by luyj |
1 Replies
4753 Views |
September 30, 2015, 10:37:33 AM by christof.haettig |
|
|
|
Parallelization of jobbsse
Started by mario8eren |
1 Replies
4838 Views |
September 30, 2015, 10:31:31 AM by christof.haettig |
|
|
|
1 Replies
4459 Views |
September 25, 2015, 01:25:23 PM by christof.haettig |
|
|
|
|
spin contrained UHF calculations.
Started by topherson |
2 Replies
7548 Views |
September 03, 2015, 12:20:05 PM by topherson |
|
|
|
5 Replies
8351 Views |
February 11, 2015, 11:36:37 PM by cediev87 |
|
|
|
|
0 Replies
4149 Views |
June 10, 2014, 10:48:40 PM by vspata0 |
|
|
|
|
8 Replies
10389 Views |
March 05, 2014, 11:02:47 AM by hannesb |
|
|
|
|
IRC calculations
Started by cml |
1 Replies
6444 Views |
January 16, 2014, 01:23:14 PM by Arnim |
|
|
|
cartesian coordinates
Started by Jandir |
2 Replies
5306 Views |
November 25, 2013, 03:10:35 AM by Jandir |
|
|
|
cbas for lanthanides
Started by ChristophM |
0 Replies
4369 Views |
November 19, 2013, 09:14:02 AM by ChristophM |
|
|
|
freeh - differences in ZPE
Started by yasmeen |
4 Replies
6339 Views |
November 12, 2013, 11:32:57 AM by yasmeen |
|
|
|
1 Replies
7226 Views |
May 31, 2013, 01:43:53 PM by Turboooo |
|
|
|
|
SDD basis set
Started by genneth9 |
2 Replies
12158 Views |
March 20, 2013, 10:22:07 AM by Arnim |
|
|
|
diffuse basis set
Started by Turboooo |
2 Replies
5682 Views |
March 15, 2013, 05:47:50 PM by Turboooo |
|
|
|
BSSE calculations
Started by juanjo |
3 Replies
8634 Views |
September 20, 2012, 03:46:10 PM by uwe |
|
|
|
CCSD for excited states in TM 6.4 ???
Started by evgeniy |
0 Replies
4785 Views |
September 05, 2012, 01:18:48 PM by evgeniy |
|
|
|
Ordering of g orbitals
Started by sergio |
0 Replies
6374 Views |
May 22, 2012, 03:04:14 PM by sergio |
|
|
|
external basis
Started by segalemb |
3 Replies
12068 Views |
May 09, 2012, 12:44:32 PM by uwe |
Normal Topic
Hot Topic (More than 15 replies)
Very Hot Topic (More than 25 replies)
Locked Topic
Sticky Topic