You should compare every atom of the reactants and products has the same label in both structures. Sometimes if there is no straight forward guess geometry from reactant and product the error may happen. You can try QST3 approach.
You should compare every atom of the reactants and products has the same label in both structures. Sometimes if there is no straight forward guess geometry from reactant and product the error may happen. You can try QST3 approach.
Indeed, first make sure atoms are defined the same way in both structures. Then try to guess the transition state and use QST3. Locating TS structures can be tricky. What kind of reaction is this?
Indeed, first make sure atoms are defined the same way in both structures. Then try to guess the transition state and use QST3. Locating TS structures can be tricky. What kind of reaction is this?
Dear Gilles Berger, I have the same error. The atoms are in the same order in both reactant and product. what is the solution in case I am not sure about the guessing transition state?
Dear Gilles Berger, I have the same error. The atoms are in the same order in both reactant and product. what is the solution in case I am not sure about the guessing transition state?
It is photo reaction
It is photo reaction
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You should compare every atom of the reactants and products has the same label in both structures. Sometimes if there is no straight forward guess geometry from reactant and product the error may happen. You can try QST3 approach.
You should compare every atom of the reactants and products has the same label in both structures. Sometimes if there is no straight forward guess geometry from reactant and product the error may happen. You can try QST3 approach.
More
VOTE
Indeed, first make sure atoms are defined the same way in both structures. Then try to guess the transition state and use QST3. Locating TS structures can be tricky. What kind of reaction is this?
Indeed, first make sure atoms are defined the same way in both structures. Then try to guess the transition state and use QST3. Locating TS structures can be tricky. What kind of reaction is this?
More
VOTE
Dear Gilles Berger,
I have the same error. The atoms are in the same order in both reactant and product. what is the solution in case I am not sure about the guessing transition state?
Dear Gilles Berger,
I have the same error. The atoms are in the same order in both reactant and product. what is the solution in case I am not sure about the guessing transition state?
More
VOTE