Volume 35, Number 3

Calculation of Gas-Phase Gibb’s free Energy Changes of Some Small Molecules with Monte Carlo, DFT (MPW1PW91), Composite (CBS-QB3), Gaussian-n (G1, G2) and Gaussian Modified (G2MP2) Methods

Introduction The Gibb’s free energy or chemical potential in basic [...]

By |2019-07-06T12:15:40+00:00June 25, 2019|Volume 35, Number 3|Comments Off on Calculation of Gas-Phase Gibb’s free Energy Changes of Some Small Molecules with Monte Carlo, DFT (MPW1PW91), Composite (CBS-QB3), Gaussian-n (G1, G2) and Gaussian Modified (G2MP2) Methods
Go to Top