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Posted by Per Åke Malmqvist on October 18, 2004 at 08:41:02: In Reply to: RASSCF output question posted by Sergiu Clima on October 15, 2004 at 13:44:23:
Posted by Sergiu Clima on November 09, 2004 at 19:07:06: Dear Per Åke Malmqvist, we have looked at UGA approach (Shavitt) and we figured out that the configuration printed in the ...
22 mei, Sergiu Clima, Computational study of electronic spectra, magnetism and electron affinities of transition-metal compounds with Cn, NH2 and CN- ligands by the CASSCF/CASPT2 ...
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