[molpro-user] Re: Can MOLPRO deal with the open-shell system by using QCISD(T) method?

Ryan Phillip Anthony Bettens chmbrpa at nus.edu.sg
Fri Nov 18 19:35:12 GMT 2005


Those QCISD(T) calcs you mentioned were computed using Gaussian98.

Ryan P. A. Bettens 
Assistant Professor, 
Department of Chemistry, 
National University of Singapore. 
3 Science Drive 3 
Singapore 117543 
Telephone: +65 6516 2846 
FAX: +65 6779 1691 
email: chmbrpa at nus.edu.sg 

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