Development of A Hessian-Free Algorithm For Transition State Searches, Application to Reactions of Light Alkanes In Zeolite Catalysts, And Extension to Wavefunction Stability Analysis In The Absence of Analytical Hessians
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Book Details :
Development of A Hessian-Free Algorithm For Transition State Searches, Application to Reactions of Light Alkanes In Zeolite Catalysts, And Extension to Wavefunction Stability Analysis In The Absence of Analytical Hessians