[Pw_forum] NMR calculation of CDCl3

Prasenjit Ghosh prasenjit.jnc at gmail.com
Fri Sep 21 14:44:53 CEST 2012


Dear all,

I want to calculate the 13C NMR spectra of CDCl3, where D is the
deuterium......How do I incorporate the fact that D has one extra neutron
in it? Or since we are interested in the C NMR spectra, it will not effect
the calculation?

With regards,

Prasenjit

-- 
PRASENJIT GHOSH,
IISER Pune,
First floor, Central Tower, Sai Trinity Building
Garware Circle, Sutarwadi, Pashan
Pune, Maharashtra 411021, India

Phone: +91 (20) 2590 8203
Fax: +91 (20) 2589 9790
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20120921/5d6eab4d/attachment.html>


More information about the users mailing list