Alireza Marefat Khah

Publication Activity (10 Years)

Years Active: 2018-2020
Publications (10 Years): 4

Top Topics

Energy Transfer

Diffusion Weighted

Top Venues

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

Alireza Marefat Khah, Peter Reinholdt, Jógvan Magnus Haugaard Olsen, Jacob Kongsted, Christof Hättig
Avoiding Electron Spill-Out in QM/MM Calculations on Excited States with Simple Pseudopotentials. Journal of chemical theory and computation 16 (3) (2020)
Alireza Marefat Khah, Peter Reinholdt, Patrick Nuernberger, Jacob Kongsted, Christof Hättig
Relaxation Dynamics of the Triazene Compound Berenil in DNA-Minor-Groove Confinement after Photoexcitation. Journal of chemical theory and computation 16 (8) (2020)
Sarah Karbalaei Khani, Alireza Marefat Khah, Christof Hättig
Comparison of Reaction Field Schemes for Coupling Continuum Solvation Models with Wave Function Methods for Excitation Energies. Journal of chemical theory and computation 16 (7) (2020)
Alireza Marefat Khah, Sarah Karbalaei Khani, Christof Hättig
Analytic Excited State Gradients for the QM/MM Polarizable Embedded Second-Order Algebraic Diagrammatic Construction for the Polarization Propagator PE-ADC(2). Journal of chemical theory and computation 14 (9) (2018)