Manuel Petroselli

2 Questions 6 Answers 0 Followers

Questions related from Manuel Petroselli

Are radical HAT reactions (metal complexes have not to be involved) possible in H2O?

Dear collegues, I am exploring some radical reactions in aqueous medium and recently my attenction is focused on HAT reactions where metal complexes are not involved in the process. Other...

11 November 2018 9,139 5 View

Optimization at CBSQB3 level of theory, freezing specific dihedral angle?

I am trying to optimize my system (23 atoms) at CBSQB3 level of theory, freezing a specific dihedral angle in order to avoid the formation of hydrogen bond. I run the calculation in a cluster...

03 March 2017 6,762 4 View