query....Z-matrix
Dia Dhuit CCL......
I am working on manganese tricarbonyl comlexes using G94.....
When inputting the z-matrix what is the form of it for the metal to arene
ring distnace {and angles}? Do I use a dummy atom or do I use the metal
to centroid distance....
any answers will be gratefully recieved..
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Michael Nolan {nearly BSc.} DCUs only quantum chemist.
Dublin City University
Dublin 9
Ireland
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"what is a man that an electron is mindful of him?"