Sarah Karbalaei Khani

TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations

Thomas Müller, Marek Sierka, Arnim Hellweg, 2020, The Journal of chemical physics.

Zinc(II)-Mediated Carbene Insertion into C-H Bonds in Alkanes.

T. Cundari, H. V. Rasika Dias, Shawn G Ridlen, 2015, Inorganic chemistry.

Comparison of Reaction Field Schemes for Coupling Continuum Solvation Models with Wavefunction Methods for Excitation Energies.

C. Hättig, Alireza Marefat Khah, Sarah Karbalaei Khani, 2020, Journal of chemical theory and computation.

Analytic Excited State Gradients for the QM/MM Polarizable Embedded Second-Order Algebraic Diagrammatic Construction for the Polarization Propagator PE-ADC(2).

C. Hättig, Alireza Marefat Khah, Sarah Karbalaei Khani, 2018, Journal of chemical theory and computation.

Tracing absorption and emission characteristics of halogen-bonded ion pairs involving halogenated imidazolium species.

C. Hättig, P. Nuernberger, Sarah Karbalaei Khani, 2021, Physical chemistry chemical physics : PCCP.

COSMO-RI-ADC(2) excitation energies and excited state gradients.

C. Hättig, Alireza Marefat Khah, Sarah Karbalaei Khani, 2018, Physical chemistry chemical physics : PCCP.