Sent to CCL by: errol lewars [elewars::trentu.ca] 2009 March 06Dummy atoms X are merely markers in a Z-matrix. Ghost atoms (or rather nuclei) Bq have spin and feel a magnetic field; they are thus used in NICS calculations as probes for aromaticity. There may be other differences which don't occur to me just now.
E. Lewars ===== Antonio G. De Crisci antonio.decrisci##utoronto.ca wrote:
Sent to CCL by: "Antonio G. De Crisci" [antonio.decrisci[#]utoronto.ca] Hi all, Can someone tell me if ghost atoms (Bq) are as innocent as dummy atoms (X)? Im aware that Bq atoms dont have basis functions, but does this make it as innocent as dummy atoms? If so, why would you need Bq atoms? Thanks, Anthony>