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February 1, 1998Journal of Computational Chemistry

How good is a Broyden-Fletcher-Goldfarb-Shanno-like update Hessian formula to locate transition structures? Specific reformulation of Broyden-Fletcher-Goldfarb-Shanno for optimizing saddle points

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Authors

JAJosep M. AngladaInstitute of Advanced Chemistry of CataloniaJBJosep María BofillUniversitat Internacional de Catalunya

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Anglada et al. (1998) studied this question.

synapsesocial.com/papers/6a9e87a833946b5f8d2cc012https://doi.org/10.1002/(sici)1096-987x(199802)19:3<349::aid-jcc8>3.0.co;2-t
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