//www.umsyar.com/wfnbbs/viewtopic.php?id=852 Tue, 18 Jul 2023 05:11:44 +0000 FluxBB //www.umsyar.com/wfnbbs/viewtopic.php?pid=3273#p3273 Just perform a regular frequency analysis task for them, you will obtain enthalpy.

]]> Tue, 18 Jul 2023 05:11:44 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=3273#p3273 //www.umsyar.com/wfnbbs/viewtopic.php?pid=3272#p3272 electron transfer enthalpy gaussian information

]]> Tue, 18 Jul 2023 04:50:54 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=3272#p3272 //www.umsyar.com/wfnbbs/viewtopic.php?pid=3271#p3271 I'm calculating the enthalpy value of the hydrogen atom and the hydrogen proton, but I'm having trouble getting the enthalpy value from the electron value in hydrogen. The calculations are being done via DFT, I would like to know if anyone has an opinion on how to obtain this value?

]]> Tue, 18 Jul 2023 04:22:37 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=3271#p3271