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Physical Chemistry Chemical Physics : PCCP|May 1, 2018
COSMO-RI-ADC(2) excitation energies and excited state gradientsSarah Karbalaei Khani, Alireza Marefat Khah, Christof HättigJournal of Chemical Theory and Computation|July 25, 2018
Analytic Excited State Gradients for the QM/MM Polarizable Embedded Second-Order Algebraic Diagrammatic Construction for the Polarization Propagator PE-ADC(2)Alireza Marefat Khah, Sarah Karbalaei Khani, Christof HättigJournal of Chemical Theory and Computation|May 30, 2020
Comparison of Reaction Field Schemes for Coupling Continuum Solvation Models with Wave Function Methods for Excitation EnergiesSarah Karbalaei Khani, Alireza Marefat Khah, Christof HättigJournal of Chemical Theory and Computation|November 18, 2015
Polarizable Embedded RI-CC2 Method for Two-Photon Absorption CalculationsDalibor Hršak, Alireza Marefat Khah, Ove Christiansen, et al.Journal of Chemical Theory and Computation|June 26, 2020
Relaxation Dynamics of the Triazene Compound Berenil in DNA-Minor-Groove Confinement after PhotoexcitationAlireza Marefat Khah, Peter Reinholdt, Patrick Nuernberger, et al.Physical Chemistry Chemical Physics : PCCP|November 2, 2018
How a linear triazene photoisomerizes in a volume-conserving fashionAlireza Marefat Khah, Lena Grimmelsmann, Johannes Knorr, et al.The Journal of Physical Chemistry Letters|April 21, 2017
Ultrafast Dynamics of a Triazene: Excited-State Pathways and the Impact of Binding to the Minor Groove of DNA and Further Biomolecular SystemsLena Grimmelsmann, Alireza Marefat Khah, Christian Spies, et al.Journal of Chemical Theory and Computation|February 8, 2020
Avoiding Electron Spill-Out in QM/MM Calculations on Excited States with Simple PseudopotentialsAlireza Marefat Khah, Peter Reinholdt, Jógvan Magnus Haugaard Olsen, et al.The Journal of Chemical Physics|May 17, 2020
TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulationsSree Ganesh Balasubramani, Guo P Chen, Sonia Coriani, et al.Pageof 1