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- W1999748992 abstract "Abstract A similarity transformation is applied to an MNDO density matrix to evaluate bond orders in some fluorobenzenes. The bond orders so evaluated are used to estimate bond lengths using Coulson's bond order—bond length relationship in the ground state. The results are compared with those available from geometry optimizations; the agreement is satisfactory. It seems that bond orders could be used for the qualitative prediction of molecular geometry." @default.
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- W1999748992 date "1987-01-01" @default.
- W1999748992 modified "2023-10-01" @default.
- W1999748992 title "MNDO Evaluation of bond orders in some fluorobenzenes" @default.
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- W1999748992 doi "https://doi.org/10.1016/0166-1280(87)80053-2" @default.
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