Giorgio Visentin

2 Questions 5 Answers 0 Followers

Questions related from Giorgio Visentin

How may it be possible to describe a protonation process via an IRC calculation? How may I depict the Transition State of the reactive system?

Protonation representation via IRC

03 March 2017 4,189 6 View

What quantum chemical software is it possible to use in order to calculate electron-phonon coupling and electric conductivity in crystals?

I'm interested in theory of organic semiconductors and solid state Theoretical Chemistry, particularly regarding electron transfer by either hopping and tunnelling mechanism in condensed systems...

09 September 2016 564 3 View