List of works - Shirin Faraji

A quantum chemical perspective on (6-4) photolesion repair by photolyases

scientific article published in December 2013

Algebraic diagrammatic construction for the polarisation propagator in combination with effective fragment potentials

scientific article published on 01 February 2019

Binding of quinazolinones to c-KIT G-quadruplex; an interplay between hydrogen bonding and π-π stacking

scientific article published on 05 July 2019

Calculations of non-adiabatic couplings within equation-of-motion coupled-cluster framework: Theory, implementation, and validation against multi-reference methods

scientific article published in January 2018

Characterization of the Intermediate in and Identification of the Repair Mechanism of (6-4) Photolesions by Photolyases.

scientific article published on 21 March 2016

Combined QM/MM investigation on the light-driven electron-induced repair of the (6-4) thymine dimer catalyzed by DNA photolyase

scientific article published on 23 August 2013

Eliminating Fatigue in Surface-Bound Spiropyrans

scientific article published on 24 September 2019

Emission turn-on and solubility turn-off in conjugated polymers: one- and two-photon-induced removal of fluorescence-quenching solubilizing groups

scientific article published on 29 November 2014

Full dimensional quantum-mechanical simulations for the vibronic dynamics of difluorobenzene radical cation isomers using the multilayer multiconfiguration time-dependent Hartree method

scientific article published on 01 October 2012

GronOR: Massively parallel and GPU-accelerated non-orthogonal configuration interaction for large molecular systems

scientific article published on 01 February 2020

Intermolecular Coulombic Decay in Biology: The Initial Electron Detachment from FADH(-) in DNA Photolyases

scientific article published on 7 March 2013

Multistate vibronic interactions in difluorobenzene radical cations. I. Electronic structure calculations.

scientific article published in August 2008

Multistate vibronic interactions in difluorobenzene radical cations. II. Quantum dynamical simulations.

scientific article

On the Nature of an Extended Stokes Shift in the mPlum Fluorescent Protein

scientific article

Physicochemical mechanism of light-driven DNA repair by (6-4) photolyases.

scientific article published on 16 December 2013

Quantum chemical study of the enzymatic repair of T(6-4)C/C(6-4)T UV-photolesions by DNA photolyases.

scientific article published on 2 July 2013

Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

scientific article published on 28 August 2021

Structure and photophysics of indigoids for singlet fission: Cibalackrot

scientific article published on 01 November 2019

Supramolecular Mimic for Bottlebrush Polymers in Bulk

scientific article published on 25 September 2019

Theoretical insights into the effect of size and substitution patterns of azobenzene derivatives on the DNA G-quadruplex

scientific article published on 18 November 2020

List of works by Shirin Faraji