화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.118, No.13, 2543-2546, 2014
Covalent Bonding: The Role of Exchange Effects
It is stressed that the two-center exchange energy components lead to a significant lowering of the total molecular energy because of exclusion of self-repulsion, and this is inevitable for covalent bond formation. The success of the two-center bond order index relies on the fact that it gives a qualitative estimate of this important phenomenon.