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• W2020109851 abstract "A previously reported method for locating saddle points on multidimensional surfaces by a combination of aspects of the conjugate gradients method and the quasi-Newton minimization method is now described with modifications to make it more robust. A number of model potentials from the literature and some ab initio molecular potential energy surfaces are used for test and comparison purposes." @default.
• W2020109851 created "2016-06-24" @default.
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• W2020109851 date "1984-03-15" @default.
• W2020109851 modified "2023-09-29" @default.
• W2020109851 title "Locating transition states" @default.
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• W2020109851 doi "https://doi.org/10.1063/1.446996" @default.
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