Search filters

List of works by Alireza Marefat Khah

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

scientific article published on 10 August 2018

Avoiding Electron Spill-Out in QM/MM Calculations on Excited States with Simple Pseudopotentials

scientific article published on 25 February 2020

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

scientific article published on 01 June 2018

How a linear triazene photoisomerizes in a volume-conserving fashion

scientific article published on 01 November 2018

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

scientific article published on 01 May 2020

Paulina is supported by:

About Paulina

Help