Difference between revisions of "Introduction to Computation Chemistry"

From MC Chem Wiki
Jump to navigation Jump to search
Line 10: Line 10:
  
 
[[Media:Ionization energy chart.pdf|Make this chart]]
 
[[Media:Ionization energy chart.pdf|Make this chart]]
 +
 +
[https://en.wikipedia.org/wiki/Ionization_energy Data can be found here]
  
 
===Keto-Enol?===
 
===Keto-Enol?===

Revision as of 19:38, 31 January 2019

This physical chemistry lab will introduce student to computational chemistry resources at Monmouth College.

WebMO 18.0

WebMO 18.0 Pro

Introduction to WebMO

Setup WebMO Accounts

Calculation of Atomic Ionization Energies

Make this chart

Data can be found here

Keto-Enol?

Calculation of Water vibrational Modes

Calculation of UV-Vis for Conjugated Polyenes