Selected Aspects of Enzymatic Catalytic Activity Studied by Theoretical Methods 
and Implementation of the Analytic Second Derivatives of Hartree-Fock and 
Hybrid Density Functional Energies

Bykov, Dmytro

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Selected Aspects of Enzymatic Catalytic Activity Studied by Theoretical Methods and Implementation of the Analytic Second Derivatives of Hartree-Fock and Hybrid Density Functional Energies

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Bykov, Dmytro
Research Department Neese, Max Planck Institute for Chemical Energy Conversion, Max Planck Society;

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Bykov, D. (submitted). Selected Aspects of Enzymatic Catalytic Activity Studied by Theoretical Methods and Implementation of the Analytic Second Derivatives of Hartree-Fock and Hybrid Density Functional Energies.

Cite as: https://hdl.handle.net/21.11116/0000-0006-ABB3-F

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