[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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