| Subject / Started by | Replies / Views  |
Last post | ||
|---|---|---|---|---|
|
|
problem with "jobex -ex"
Started by kankanxiaoya |
1 Replies
7216 Views |
December 09, 2011, 09:00:35 AMby uwe |
|
|
|
0 Replies
7176 Views |
September 09, 2008, 10:48:09 PM by Alex2007 |
|
|
|
|
2 Replies
7163 Views |
November 13, 2012, 02:45:05 PM by vvallet |
|
|
|
|
Doubts with Molecular Orbitals
Started by inozerox |
3 Replies
7147 Views |
April 02, 2016, 02:54:53 PM by inozerox |
|
|
|
IRC (internal reaction coordinate)
Started by jbaltrus |
3 Replies
6972 Views |
March 17, 2012, 07:22:43 PM by Arnim |
|
|
|
temperature in molecular dynamics
Started by LLeppert |
1 Replies
6929 Views |
February 09, 2012, 03:27:09 PM by Arnim |
|
|
|
0 Replies
6881 Views |
June 30, 2009, 07:29:34 AM by Guangyue |
|
|
|
|
Geometry optimization of an excited state
Started by dbk80 |
1 Replies
6880 Views |
October 12, 2016, 10:23:09 AM by dbk80 |
|
|
|
how to find global minimum?
Started by jitmukherjeechem |
0 Replies
6789 Views |
June 20, 2012, 02:43:31 PM by jitmukherjeechem |
|
|
|
molecular dynamics not getting started
Started by vsharma |
1 Replies
6748 Views |
April 29, 2013, 10:34:58 AM by Arnim |
|
|
|
Perrhenate, ECP, B3LYP
Started by wilhelm |
1 Replies
6689 Views |
April 26, 2011, 04:23:13 PM by Arnim |
|
|
|
1 Replies
6679 Views |
July 26, 2010, 12:36:21 PM by Arnim |
|
|
|
|
Running PES scan in parallel with scanprep
Started by Jerry |
1 Replies
6627 Views |
September 30, 2015, 03:13:31 PM by christof.haettig |
|
|
|
RDGRAD Failing in SMP with RIJK
Started by tjmustard |
1 Replies
6593 Views |
April 27, 2012, 12:27:37 PM by uwe |
|
|
|
Optimization failed in excited state
Started by wuhen |
1 Replies
6585 Views |
July 22, 2011, 04:47:01 PM by amavr78 |
|
|
|
0 Replies
6532 Views |
June 19, 2009, 11:21:01 AM by evgeniy |
|
|
|
|
jobex with peecm error in rdgrad step
Started by flabia |
2 Replies
6514 Views |
December 12, 2011, 09:25:09 AM by flabia |
|
|
|
1 Replies
6490 Views |
February 09, 2016, 09:36:09 AM by Arnim |
|
|
|
|
0 Replies
6472 Views |
October 05, 2009, 04:04:43 PM by evgeniy |
|
|
|
|
0 Replies
6472 Views |
October 08, 2009, 06:16:38 PM by evgeniy |
|
Normal Topic
Hot Topic (More than 15 replies)
Very Hot Topic (More than 25 replies)
Locked Topic
Sticky Topic