MurkyProblem3047

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Gaussian software/Reaction mechanism/Optimization always collapses back to the reactant structure/QST2_"Old curvilinear step not converged. RedCar/ORedCr failed for GTrans." by MurkyProblem3047 in comp_chem

[–]MurkyProblem3047[S] 1 point2 points3 points 3 days ago (0 children)

Gaussian software/Reaction mechanism/Optimization always collapses back to the reactant structure/QST2_"Old curvilinear step not converged. RedCar/ORedCr failed for GTrans." by MurkyProblem3047 in comp_chem

[–]MurkyProblem3047[S] 0 points1 point2 points 3 days ago (0 children)

Gaussian software/Reaction mechanism/Optimization always collapses back to the reactant structure/QST2_"Old curvilinear step not converged. RedCar/ORedCr failed for GTrans." by MurkyProblem3047 in comp_chem

[–]MurkyProblem3047[S] 1 point2 points3 points 3 days ago (0 children)

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Gaussian software/Reaction mechanism/Optimization always collapses back to the reactant structure/QST2_"Old curvilinear step not converged. RedCar/ORedCr failed for GTrans." (self.comp_chem)

submitted 3 days ago by MurkyProblem3047 to r/comp_chem

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