The general chemical reaction:
A+B = AB or BA(AB and BA are isomer),
The interaction energy can be computed as
Delta E(AB)= (E(AB) or E(BA))- (E(A)+E(B)).
1. I saw many papers they had provide the interaction energy for the possible reaction if it is negative (not free GIFF energy). Is it correct?
why and when we have to provide interaction energy? how do we know which product (AB or BA) is refering from above reaction (comparing free GIFF energy is enough?)?
2. How to compare which bond is stronger based on DFT calculation?
For example, (-S-Zn-) and (-O-Zn-)
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