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DFT Water oxidation

Started by Zaphod_B | Last post by Zaphod_B July 04, 2020, 08:01:26 AM

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Last post July 04, 2020, 08:01:26 AM
by Zaphod_B
How to find entropy of chemical network reaction?

Started by punk_cat | Last post by punk_cat June 27, 2020, 06:41:43 AM

0 Replies
243 Views
Last post June 27, 2020, 06:41:43 AM
by punk_cat
A problem occurs during QST2 calculation-Any solution available?

Started by adhikary | Last post by adhikary June 24, 2020, 09:20:43 PM

4 Replies
350 Views
Last post June 24, 2020, 09:20:43 PM
by adhikary
Physical chemistry...

Started by karbotilne5 | Last post by jeffmoonchop June 23, 2020, 03:51:08 PM

2 Replies
333 Views
Last post June 23, 2020, 03:51:08 PM
by jeffmoonchop
Physical Chemistry Question

Started by bomishketi4 | Last post by sjb June 23, 2020, 07:36:58 AM

1 Replies
223 Views
Last post June 23, 2020, 07:36:58 AM
by sjb
Can ORCA take advantage of hyperthreading?

Started by Zaphod_B | Last post by Enthalpy June 22, 2020, 04:37:53 PM

1 Replies
230 Views
Last post June 22, 2020, 04:37:53 PM
by Enthalpy
approximate degree of dissociation

Started by Schmittchen | Last post by AWK June 19, 2020, 06:17:30 AM

9 Replies
507 Views
Last post June 19, 2020, 06:17:30 AM
by AWK
1 Replies
218 Views
Last post June 17, 2020, 04:28:39 PM
by Enthalpy
Problem in Titration Mathematics

Started by FlatTimmy | Last post by FlatTimmy June 16, 2020, 03:06:03 PM

2 Replies
315 Views
Last post June 16, 2020, 03:06:03 PM
by FlatTimmy
What is the potential relative to in cyclic voltamettry?

Started by showmetheway | Last post by showmetheway June 12, 2020, 03:13:13 AM

1 Replies
318 Views
Last post June 12, 2020, 03:13:13 AM
by showmetheway
Rigid micrometer-scale fillers

Started by endzho942 | Last post by Corribus June 02, 2020, 06:33:06 PM

1 Replies
260 Views
Last post June 02, 2020, 06:33:06 PM
by Corribus
A composite with the following properties

Started by endzho942 | Last post by Enthalpy June 02, 2020, 05:34:39 AM

1 Replies
304 Views
Last post June 02, 2020, 05:34:39 AM
by Enthalpy
Interpretation of Electron Spin Density lobes after doing DFT

Started by darkdevil « 1 2 » | Last post by pm133 May 24, 2020, 02:03:40 AM

17 Replies
1038 Views
Last post May 24, 2020, 02:03:40 AM
by pm133
0 Replies
168 Views
Last post May 23, 2020, 07:32:27 PM
by seanspotatobusiness
measuring standard potential of a catalytic electrode

Started by Pfeifchen | Last post by Pfeifchen May 19, 2020, 08:08:30 AM

0 Replies
166 Views
Last post May 19, 2020, 08:08:30 AM
by Pfeifchen
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