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Parameter-free Fenske-Hall SCF MO method is used to calculate the electronic structure of three kinds of D-A complexes of ammonia: H 3 N-AX (A = H, Li; X = F, Cl); H 3 N-BX 3 (X = H and halogen) and H 3 N-XX' (X,X' = F,Cl). Based on the wave functions thus obtained, natural hybrid orbital analysis is carried out. Molecular valency is introduced and computed, which...
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