ab initio calculation: NMR shielding tensor
Dear All,
I wonder if someone have performed ab initio NMR
shielding tensor calculations on paramagnetic compounds by means of GIAO
or CSGT methods.
Could you point me some paper concerning the argument? or could you
write me your knowledge about the reliability of GIAO and CSGT NMR
shielding tensor calculations on paramagnetic molecules?
I will summary all the answers.
Thank you
Alessandra
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Alessandra Villa ale (+ at +) sg2.csrsrc.mi.cnr.it
PhD-Student
Dipartimento di Chimica Fisica ed Elettrochimica
Universtita' degli Studi di Milano
via Golgi 19
20133 Milano-Italy
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