Energy Minimization in Chem3D, Hartree-Fock vs MM2

Started by Pietdoek | Last post by Pietdoek November 15, 2022, 05:21:54 AM

Resonance forms of pyracyclene

Started by njoyeux | Last post by njoyeux November 11, 2022, 07:59:29 AM

Where does the required energy for Na + Cl -> NaCl come from?

Started by PaulC4 | Last post by Enthalpy November 17, 2022, 03:28:14 PM

Reversible compression and proving relation with state function

Started by matzebro12 | Last post by matzebro12 October 22, 2021, 06:21:18 PM

Surface-water hydrolysis reaction & reaction/adsorption kinetics model

Started by extremesonic | Last post by extremesonic October 26, 2021, 12:35:06 AM

How to safely determine hydrogen injection into blast furnace?

Started by metallurgy | Last post by metallurgy December 08, 2021, 05:53:24 AM

How do we know if an elementary reaction of is reversible or not from kinetics?

Started by natalie5933 | Last post by natalie5933 February 05, 2022, 06:01:21 PM

Cavity ring-down spectroscopy

Started by eiiscue | Last post by eiiscue November 10, 2021, 03:17:09 PM

Unrestricted Fragment in ADF

Started by ar_sachin | Last post by ar_sachin December 17, 2021, 01:18:25 AM

measuring standard potential of a catalytic electrode

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

DFT Treatment of O2 and H2O2

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

virial (pressure) calculations

Started by daness | Last post by daness October 06, 2021, 07:20:55 AM

Mechanism Questions

Started by Shogun | Last post by Shogun May 04, 2020, 12:26:41 PM

Search publications for checking the stability of some rare Li and Be compounds

Started by CNewby123 | Last post by CNewby123 January 29, 2020, 09:38:02 AM

reverse osmosis plant

Started by elifkorkmaz | Last post by Borek May 01, 2020, 10:41:47 AM