2 Questions 4 Answers 0 Followers
Questions related from Xinglong Zhang
In the free energy profile calculation of Pd-catalysis, I included the role role of copper(II) acetate as a monomer, such that the relevant heterodimetallic TS (Pd-Cu complex) is a neutral spin...
24 April 2019 3,869 2 View
I am using Gaussian09 to run a structure minimisation on a molecular system that is radical cationic using the composite method ROCBS-4M. The input structure has already been optimised at...
07 February 2017 8,407 3 View