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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...

by Bykov, Dmytro
Published 2014
“...Universitäts- und Landesbibliothek Bonn...”

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Doctoral or Postdoctoral Thesis
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2

Insights into Biomolecular Structure from Theoretical Spectroscopy

by Riplinger, Christoph
Published 2011
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Doctoral or Postdoctoral Thesis
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3

Development of Efficient and Accurate Approximations to Single Reference Correlation Methods using Pair Natural Orbitals

by Hansen, Andreas
Published 2012
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Doctoral or Postdoctoral Thesis
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4

Internally Contracted Multireference Coupled-Cluster Theories With Automated Code Generation

by Lechner, Marvin Harald
Published in Molecular Physics (2023)
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Doctoral or Postdoctoral Thesis
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5

Exploring Problems in Inorganic Solid-State Systems with Wavefunction-Based Molecular Spectroscopy Methods

by Dittmer, Anneke
Published 2024
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Doctoral or Postdoctoral Thesis
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6

Computational Study of Redox Properties of Cofactors in Photosystem II

by Siwakoti, K.
Published 2022
“...Rheinische Friedrich-Wilhelms-Universität Bonn...”

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Master Thesis
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7

Internally Contracted Multireference Coupled-Cluster Theories With Automated Code Generation

by Lechner, M.
Published 2023
“...Rheinische Friedrich-Wilhelms-Universität Bonn...”

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Doctoral or Postdoctoral Thesis

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