WebMO - Computational chemistry on the WWW
Recent news

WebMO 12.0 is now available for free download!

WebMO 12.0 Pro and Enterprise have a variety of additional features and is available for purchase.

WebMO can now be installed on Windows, Mac, and Unix servers!

October 17, 2019

IR Spectrum Log Out | Topics | Search
Moderators | Edit Profile

WebMO Support Forum » Bug Reports » WebMO Version 12.X » IR Spectrum « Previous Next »

Author Message
Anonymous
 
Posted on Sunday, November 06, 2011 - 1:49 am:   

Dear WebMO,
I think the IR spectrum is intensity - frequency(cm^-1) curve. However current WebMO write intensity - energy(cm^-1).

The test run is on demo server, jobID 90631.
JR Schmidt
Moderator
Username: Schmidt

Post Number: 209
Registered: 11-2006
Posted on Sunday, November 06, 2011 - 12:34 pm:   

Wavenumber (cm-1) is proportional to frequency (s-1) and to energy (J):
w = 1/lambda = v/c = E/hc
Thus, they are equivalent and are distinguished by their units.

Add Your Message Here
Post:
Username: Posting Information:
This is a public posting area. Enter your username and password if you have an account. Otherwise, enter your full name as your username and leave the password blank. Your e-mail address is optional.
Password:
E-mail:
Options: Post as "Anonymous"
Enable HTML code in message
Automatically activate URLs in message
Action:

Topics | Last Day | Last Week | Tree View | Search | Help/Instructions | Program Credits Administration