Niels Hansen
University of Stuttgart(DE)
Publications by Year
Research Areas
Protein Structure and Dynamics, Zeolite Catalysis and Synthesis, Enzyme Structure and Function, Phase Equilibria and Thermodynamics, Advanced Chemical Physics Studies
Most-Cited Works
- → Practical Aspects of Free-Energy Calculations: A Review(2014)388 cited
- → Quantum Chemical Modeling of Benzene Ethylation over H-ZSM-5 Approaching Chemical Accuracy: A Hybrid MP2:DFT Study(2010)167 cited
- → Validation of Molecular Simulation: An Overview of Issues(2017)150 cited
- → Theoretical Investigation of Benzene Alkylation with Ethene over H-ZSM-5(2008)90 cited
- → Analysis of Diffusion Limitation in the Alkylation of Benzene over H-ZSM-5 by Combining Quantum Chemical Calculations, Molecular Simulations, and a Continuum Approach(2008)88 cited
- → Theoretical Simulation of n-Alkane Cracking on Zeolites(2010)84 cited
- → A Reaction Mechanism for the Nitrous Oxide Decomposition on Binuclear Oxygen Bridged Iron Sites in Fe-ZSM-5(2007)82 cited
- → Olefin Metathesis in Confined Geometries: A Biomimetic Approach toward Selective Macrocyclization(2019)82 cited
- → Nitrous Oxide Decomposition over Fe-ZSM-5 in the Presence of Nitric Oxide: A Comprehensive DFT Study(2006)81 cited
- → Combined Density Functional Theory and Monte Carlo Analysis of Monomolecular Cracking of Light Alkanes Over H-ZSM-5(2012)63 cited