Molecular Information File dictionary (MIF) version 1.2.3

_atom_spin_multiplicity

Name:
'_atom_spin_multiplicity'

Definition:

   The spin multiplicity applies only if the _atom_radical_count 
   value is nonzero, and is derived from the formula 2S+1, where
   S is the absolute value of the sum of the electron spins (+1/2
   or -1/2) on the atom. Thus, a biradical atom may have the values
   1 or 3 [2(1/2-1/2)+1 or 2(1/2+1/2)+1] to represent a singlet or
   a triplet biradical.

Appears in list containing _atom_id


The permitted range is 1 -> infinity

Type: numb

Category: atom








































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