| Subject / Started by | Replies / Views | Last post ![]() |
||
|---|---|---|---|---|
|
|
What does the output of freeH mean?
Started by Dempsey |
7 Replies
51731 Views |
by uwe |
|
|
natural charge TURBOMOLE vs Gaussian16
Started by t-iwasa |
1 Replies
26573 Views |
by t-iwasa |
|
|
0 Replies
24607 Views |
by marand |
|
|
|
Molecular orbitals of excited states
Started by shafikoff |
0 Replies
23160 Views |
by shafikoff |
|
|
0 Replies
23331 Views |
by eimear.madden |
|
|
|
hybrid functional and bandgap.
Started by Wonseok |
2 Replies
29543 Views |
by Wonseok |
|
|
How to generat file47 for gennbo (NBO7)
Started by KrisR |
6 Replies
54427 Views |
by christof.haettig |
|
|
Population analysis new vs old (moloch)
Started by Robin1991 |
2 Replies
33784 Views |
by christof.haettig |
|
|
[HowTo] Generate NTOs from TDDFT
Started by finrod |
6 Replies
50988 Views |
by shafikoff |
|
|
5 Replies
44680 Views |
by uwe |
|
|
|
freeH partition function calculation
Started by Dempsey |
3 Replies
31798 Views |
by Dempsey |
|
|
2 Replies
28372 Views |
by Dempsey |
|
|
|
0 Replies
25038 Views |
by t-iwasa |
|
|
|
TDDFT-Transition densities
Started by Pandiselvi |
1 Replies
28385 Views |
by t-iwasa |
|
|
6 Replies
40130 Views |
by prasanta13 |
|
|
|
plt tool mislabelling atoms with ECPs
Started by Dempsey |
1 Replies
25481 Views |
by uwe |
|
|
6 Replies
41719 Views |
by prasanta13 |
|
|
|
QTAIM for periodic calculations
Started by max_sam |
0 Replies
25164 Views |
by max_sam |
|
|
1 Replies
24670 Views |
by Arnim |
|
|
|
intrinsic-atomic dipole moment
Started by Mohammad |
0 Replies
26253 Views |
by Mohammad |
Normal Topic
Hot Topic (More than 15 replies)
Very Hot Topic (More than 25 replies)
Locked Topic
Sticky Topic