[molpro-user] Re: Can MOLPRO deal with the open-shell system by using QCISD(T) method?
mht at mrdlab.icas.ac.cn
Sun Nov 20 14:53:16 GMT 2005
Ryan P. A. Bettens is the first author of that calcs at JCP.
Would you please send me a copy of that article JCP,112,10162-10172,
and I will appreciate it!
On Sat, 19 Nov 2005, Ryan Phillip Anthony Bettens wrote:
> 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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