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I started a project
on NMR ab initio calculations with GAUSSIAN
98W A.11.
I haven't problem with DFT and HF
methods, but i cann't
run NMR with
MP2 [#p
mp2/6-311+(2d,p) nmr].
WHY? (I have an Athlon Thunderbird 1GHz with 256 MB
memory)
Can anyone give me an
advice?
Thanks in advance.
Postgraduate (Ph.D) Student
Vasilios I. Teberekidis Laboratory of Applied Quantum Chemistry Aristotle University of Thessaloniki (Greece) Tel.:(+30 31) 99 78 20 +30937 66 18 18 E-mail: temper "-at-" chem.auth.gr www: http://users.auth.gr/temper |