| Subject / Started by | Replies / Views  |
Last post | ||
|---|---|---|---|---|
|
|
using RI with hybrid functionals
Started by doguapo |
1 Replies
7581 Views |
August 06, 2010, 09:03:14 PMby uwe |
|
|
|
2 Replies
7539 Views |
October 12, 2009, 03:55:55 PM by willows9803 |
|
|
|
|
3 Replies
7522 Views |
October 26, 2011, 02:49:23 PM by Ian K |
|
|
|
|
QMMM optimization using TURBOMOLE
Started by payelsahu |
0 Replies
7507 Views |
April 20, 2017, 08:58:09 AM by payelsahu |
|
|
|
Constrained optimizations
Started by gojimeo |
0 Replies
7456 Views |
October 29, 2007, 08:44:54 PM by gojimeo |
|
|
|
IRC calculation
Started by marcel |
0 Replies
7403 Views |
September 09, 2008, 10:28:17 PM by marcel |
|
|
|
2 Replies
7357 Views |
October 27, 2009, 04:05:44 PM by evgeniy |
|
|
|
|
2 Replies
7284 Views |
June 06, 2021, 12:23:03 AM by JakubV |
|
|
|
|
periodic boundary conditions
Started by asaf |
2 Replies
7284 Views |
August 29, 2011, 06:47:02 PM by pski |
|
|
|
doublet excited state optimization
Started by lyzhu |
0 Replies
7212 Views |
December 15, 2009, 04:50:42 PM by lyzhu |
|
|
|
minimum energey crossing point (mecp)
Started by adam.kubas |
0 Replies
7201 Views |
September 13, 2009, 11:37:19 AM by adam.kubas |
|
|
|
1 Replies
7098 Views |
January 11, 2012, 10:07:33 PM by golden |
|
|
|
|
2 Replies
7029 Views |
October 01, 2015, 10:58:48 AM by christof.haettig |
|
|
|
|
Optimization error with symmetry
Started by ylniu |
0 Replies
7014 Views |
July 09, 2009, 09:09:12 AM by ylniu |
|
|
|
FROG module
Started by Olynes |
1 Replies
6923 Views |
January 16, 2015, 10:03:44 AM by uwe |
|
|
|
0 Replies
6887 Views |
June 17, 2017, 10:54:02 AM by makhlaghi |
|
|
|
|
Turbomole in two different machines
Started by kmkumar |
1 Replies
6828 Views |
February 05, 2009, 03:29:58 PM by christof.haettig |
|
|
|
Doubts with Molecular Orbitals
Started by inozerox |
3 Replies
6814 Views |
April 02, 2016, 02:54:53 PM by inozerox |
|
|
|
2 Replies
6793 Views |
October 24, 2011, 07:16:16 PM by Ian K |
|
|
|
|
2 Replies
6790 Views |
November 13, 2012, 02:45:05 PM by vvallet |
|
Normal Topic
Hot Topic (More than 15 replies)
Very Hot Topic (More than 25 replies)
Locked Topic
Sticky Topic