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OnderzoekZernike (ZIAM)THCHEFaraji Group

Publications

2018

Faraji, S., Matsika, S., & Krylov, A. I. (2018). Calculations of non-adiabatic couplings within equation-of-motion coupled-cluster framework: Theory, implementation, and validation against multi-reference methods. Journal of Chemical Physics, 148(4), [044103]. DOI: 10.1063/1.5009433
Mulks, F. F., Faraji, S., Rominger, F., Dreuw, A., & Hashmi, A. S. K. (2018). Highly Strained Organogold Complexes and Their Gold- or Rhodium-Catalyzed Isomerizations. Chemistry, 24(1), 71-76. DOI: 10.1002/chem.201704652

2017

Faraji, S., & Dreuw, A. (2017). Insights into Light-driven DNA Repair by Photolyases: Challenges and Opportunities for Electronic Structure Theory. Photochemistry and Photobiology, 93(1), 37-50. DOI: 10.1111/php.12679

2016

Faraji, S., Zhong, D., & Dreuw, A. (2016). Characterization of the Intermediate in and Identification of the Repair Mechanism of (6-4) Photolesions by Photolyases. Angewandte Chemie - International Edition, 55(17), 5175-5178. DOI: 10.1002/anie.201511950

2015

Faraji, S., & Krylov, A. I. (2015). On the Nature of an Extended Stokes Shift in the mPlum Fluorescent Protein. The Journal of Physical Chemistry. B: Materials, Surfaces, Interfaces, & Biophysical, 119(41), 13052-13062. DOI: 10.1021/acs.jpcb.5b07724
Schelkle, K. M., Becht, S., Faraji, S., Petzoldt, M., Muellen, K., Buckup, T., ... Hamburger, M. (2015). Emission Turn-On and Solubility Turn-Off in Conjugated Polymers: One- and Two-Photon-Induced Removal of Fluorescence-Quenching Solubilizing Groups. Macromolecular Rapid Communications, 36(1), 31-37. DOI: 10.1002/marc.201400562

2014

Faraji, S., & Dreuw, A. (2014). Physicochemical Mechanism of Light-Driven DNA Repair by (6-4) Photolyases. In M. A. Johnson, & T. J. Martinez (Eds.), ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 65 (Vol. 65, pp. 275-292). (Annual Review of Physical Chemistry; Vol. 65). Annual Reviews. DOI: 10.1146/annurev-physchem-040513-103626
Fletcher, K., Dreuw, A., & Faraji, S. (2014). Potential energy surfaces and approximate kinetic model for the excited state dynamics of Pigment Yellow 101. Computational and Theoretical Chemistry, 1040-1041, 177-185. DOI: 10.1016/j.comptc.2014.04.003

2013

Faraji, S., Groenhof, G., & Dreuw, A. (2013). Combined QM/MM Investigation on the Light-Driven Electron-Induced Repair of the (6-4) Thymine Dimer Catalyzed by DNA Photolyase. The Journal of Physical Chemistry. B: Materials, Surfaces, Interfaces, & Biophysical, 117(35), 10071-10079. DOI: 10.1021/jp401662z
Faraji, S., Wirz, L., & Dreuw, A. (2013). Quantum Chemical Study of the Enzymatic Repair of T(6-4)C/C(6-4)T UV-Photolesions by DNA Photolyases. Chemphyschem, 14(12), 2817-2824. DOI: 10.1002/cphc.201300223
Harbach, P. H. P., Schneider, M., Faraji, S., & Dreuw, A. (2013). Intermolecular Coulombic Decay in Biology: The Initial Electron Detachment from FADH(-) in DNA Photolyases. The Journal of Physical Chemistry Letters, 4(6), 943-949. DOI: 10.1021/jz400104h
Dreuw, A., & Faraji, S. (2013). A quantum chemical perspective on (6-4) photolesion repair by photolyases. PPCP : Physical Chemistry Chemical Physics, 15(46), 19957-19969. DOI: 10.1039/c3cp53313a

2012

Faraji, S., & Koeppel, H. (2012). Multi-state vibronic interactions in the 1,2,3-trifluorobenzene radical cation. Journal of Chemical Physics, 137(22), [ARTN 22A531]. DOI: 10.1063/1.4746159
Meng, Q., Faraji, S., Vendrell, O., & Meyer, H-D. (2012). Full dimensional quantum-mechanical simulations for the vibronic dynamics of difluorobenzene radical cation isomers using the multilayer multiconfiguration time-dependent Hartree method. Journal of Chemical Physics, 137(13), [134302]. DOI: 10.1063/1.4755372
Faraji, S., & Dreuw, A. (2012). Proton-Transfer-Steered Mechanism of Photo lesion Repair by (6-4)-Photolyases. The Journal of Physical Chemistry Letters, 3(2), 227-230. DOI: 10.1021/jz201587v

2011

Faraji, S., Vazdar, M., Reddy, V. S., Eckert-Maksic, M., Lischka, H., & Koeppel, H. (2011). Ab initio quantum dynamical study of the multi-state nonadiabatic photodissociation of pyrrole. Journal of Chemical Physics, 135(15), [154310]. DOI: 10.1063/1.3651536
Faraji, S., Gomez-Carasco, S., & Köppel, H. (2011). Multi-State Vibronic Dynamics and Multiple Conical Intersections. In W. Domcke, D. R. Yarkony, & H. Köppel (Eds.), Conical Intersections: Theory, Computation and Experiment (Vol. 17, pp. 249-300). Word Scientific, Advanced series in physical chemistry.

2009

Faraji, S., Gindensperger, E., & Köppel, H. (2009). Multi-Mode Jahn-Teller and Pseudo-Jahn-Teller Eects in Benzenoid Cations. In H. Köppel, D. R. Yarkony, & H. Barentzen (Eds.), The Jahn-Teller Efffect: Fundamentals and Implications for Physics and Chemistry (Vol. 97, pp. 239-276). (Springer Series in Chemical Physics; Vol. 97). Heidelberg: Springer Verlag. DOI: 10.1007/978-3-642-03432-9_9

2008

Faraji, S., & Koeppel, H. (2008). Multistate vibronic interactions in difluorobenzene radical cations. I. Electronic structure calculations. Journal of Chemical Physics, 129(7), [074310]. DOI: 10.1063/1.2958915
Faraji, S., Meyer, H-D., & Koeppel, H. (2008). Multistate vibronic interactions in difluorobenzene radical cations. II. Quantum dynamical simulations. Journal of Chemical Physics, 129(7), [074311]. DOI: 10.1063/1.2958918
Faraji, S., Koeppel, H., Eisfeld, W., & Mahapatra, S. (2008). Towards a higher-order description of Jahn-Teller coupling effects in molecular spectroscopy: The (A)over-tilde(2)E '' state of NO3. Chemical Physics, 347(1-3), 110-119. DOI: 10.1016/j.chemphys.2007.10.006
Hashemianzadeh, S. M., Faraji, S., Amin, A. H., & Ketabi, S. (2008). Theoretical study of the interactions between isolated DNA bases and various groups IA and IIA metal ions by Ab initio calculations. Monatshefte fur chemie, 139(2), 89-100. DOI: 10.1007/s00706-007-0744-9
Laatst gewijzigd:06 maart 2017 16:30