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Publications by Marco Klähn

On Possible Pitfalls in Ab Initio Quantum Mechanics/Molecular Mechanics Minimization Approaches for Studies of Enzymatic Reactions

Journal of Physical Chemistry B

Theoretical Chemistry

Materials Chemistry

English

Related publications

Color Tuning in Short Wavelength-Sensitive Human and Mouse Visual Pigments: Ab Initio Quantum Mechanics/Molecular Mechanics Studies

Journal of Physical Chemistry A

Theoretical Chemistry

English

Ligand-Protein Interactions: A Hybrid Ab Initio/Molecular Mechanics Computational Study

English

Ligand-Protein Interactions: A Hybrid Ab Initio/Molecular Mechanics Computational Study

English

On the Analytical Mechanics of Chemical Reactions. Quantum Mechanics of Linear Collisions

Journal of Chemical Physics

Theoretical Chemistry

English

Quantum Mechanics Tackles Mechanics

Multidisciplinary

Philosophy of Science

English

Ab Initio Molecular Dynamics With Quantum Monte Carlo

Frontiers in Materials

Materials Science

English

Quantum Mechanics/Molecular Mechanics Electrostatic Embedding With Continuous and Discrete Functions

English

Comparison of Polarizable Continuum & Quantum Mechanics/Molecular Mechanics Models With Series of Tripeptides (AXA)

Biophysical Journal

English

Quantum Mechanics on Q/Z

Journal of Mathematical Physics

Nonlinear Physics

Mathematical Physics

English