Difference between revisions of "Introduction to Computation Chemistry"

From MC Chem Wiki
Jump to navigation Jump to search
Line 1: Line 1:
 
This physical chemistry lab will introduce student to computational chemistry resources at Monmouth College.
 
This physical chemistry lab will introduce student to computational chemistry resources at Monmouth College.
  
[http://esr.monmsci.net/~besturgeon/cgi-bin/webmo/login.cgi WebMO 9.0]
+
[http://iron.monmsci.net/~webmo/cgi-bin/webmo/login.cgi WebMO 18.0]
  
[http://speakezy.monmsci.net/~webmo/cgi-bin/webmo/login.cgi WebMO 9.0 Pro]
+
[http://iron.monmsci.net/~webmo_pro/cgi-bin/webmo_pro/login.cgi WebMO 18.0 Pro]
 
 
[http://iron.monmsci.net/~webmo/cgi-bin/webmo/login.cgi WebMO 18.0]
 
  
 
===Introduction to WebMO===
 
===Introduction to WebMO===

Revision as of 19:27, 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

Keto-Enol?

Calculation of Water vibrational Modes

Calculation of UV-Vis for Conjugated Polyenes