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      Globally optimal catalytic fields for a Diels–Alder reaction

      1 , 1
      The Journal of Chemical Physics
      AIP Publishing

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          A climbing image nudged elastic band method for finding saddle points and minimum energy paths

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            Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points

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              A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model

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                Author and article information

                Contributors
                Journal
                The Journal of Chemical Physics
                J. Chem. Phys.
                AIP Publishing
                0021-9606
                1089-7690
                March 21 2020
                March 21 2020
                : 152
                : 11
                : 114106
                Affiliations
                [1 ]Institute for Physical Chemistry, Christian-Albrechts-University Kiel, 24098 Kiel, Germany
                Article
                10.1063/1.5142839
                2d1ac235-6005-44a2-8316-4dad651b7da5
                © 2020
                History

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