Partition function and translational partition function of a monotomic molecule

Started by AussieKenDoll | Last post by Corribus August 11, 2020, 08:38:22 AM

DFT Treatment of O2 and H2O2

Started by Zaphod_B | Last post by Zaphod_B August 10, 2020, 08:41:09 AM

Chemical energetics

Started by kalyanvadagam | Last post by Borek July 15, 2020, 01:01:52 PM

Chemical energetics

Started by kalyanvadagam | Last post by Borek July 14, 2020, 04:16:10 AM

Taking pchem thermo/kinetics, then quantum in order?

Started by Yao | Last post by Corribus July 09, 2020, 05:09:56 PM

Determining measurements for concentrated brine for mineral water.

Started by agjfritz | Last post by Borek July 07, 2020, 03:05:41 AM

Physical Chemistry

Started by Rubeena | Last post by Rubeena July 04, 2020, 01:19:16 PM

DFT Water oxidation

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

How to find entropy of chemical network reaction?

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

A problem occurs during QST2 calculation-Any solution available?

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

Physical chemistry...

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

Physical Chemistry Question

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

Can ORCA take advantage of hyperthreading?

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

approximate degree of dissociation

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

How many donor impurity atoms would be required for silicon to be n-type?

Started by Lettuce | Last post by Enthalpy June 17, 2020, 04:28:39 PM