Publications

1. J. Li, A. Mirzanejad*, W.-H. Dong, K. Liu, M. Richter, X.-Y, Wang, R. Berger, S. Du, W. Auwa ̈rter, J. V. Barth, J. Ma, K. Mu ̈llen, A. Narita, X. Feng, J.-T. Sun, L. Muechler, C.-A. Palma “Topological Woodward-Hoffmann classification for radical cycloadditions in polycyclic aromatic azomethine ylides” available at https://doi.org/10.48550/arXiv.2407.21756

2. A. Mirzanejad, S. A. Varganov, “Two-state spin-forbidden formation of amide molecules in the interstellar medium” ACS Earth Space Chem. 2025, 9, 4, 789–794. 

3. A. Mirzanejad, L. Muechler, “Converting second-order saddle points to transition states: New principles for the design of 4π photoswitches” ChemPhysChem (2024), e202400786.

4. A. Mirzanejad, S. A. Varganov, “Derivation of Morse Potential” Mol. Phys. (2024) e2360542.

5. I. D. Dergachev, V. D. Dergachev, M. Rooein, A. Mirzanejad, S. A. Varganov, “Predicting Kinetics and Dy- namics of Spin-Dependent Processes” Acc. Chem. Res. 56 (2023) 856-866.

6. A. Mirzanejad, S. A. Varganov, “The Role of Intermediate Triplet State in Iron-Catalyzed Multi-State C-H Activation” Phys. Chem. Chem. Phys. 24 (2022) 20721-20727.

7. M. Elahifard, M. Sadrian, A. Mirzanejad*, R. Behjatmanesh-Ardakani, S. Ahmadvand, ”Dispersion of Defects in TiO2 Semiconductor: Oxygen Vacancies in the Bulk and Surface of Rutile and Anatase” Catalysts 10 (2020) 397.

8. S. Ahmadvand, M. Elahifard, M. Jabbarzadeh, A. Mirzanejad*, et al. ”Bacteriostatic Effects of Apatite- Covered Ag/AgBr/TiO2 Nanocomposite in the Dark: Anomaly in Bacterial Motility” J. Phys. Chem. B 123 (2019), 787-791.

9. M. Elahifard, S. Ahmadvand, A. Mirzanejad*, “Effects of Ni-doping on the Photo-catalytic Activity of TiO2 Anatase and Rutile: Simulation and Experiment” Mater. Sci. Semicond. Process. 84 (2018) 10-16.

10. A. Mirzanejad, “Thermal Chemistry of 2-Halo-1-propanols on Ni(111) and Cu(111) Surfaces: A UBI-QEP Energetic Modeling” Appl. Surf. Sci. 359 (2015) 576-588.

*Indicates equal contribution of all authors.

1. A. Mirzanejad, L. Muechler, “Oral: Forbidden Woodward-Hoffmann electrocyclizations leading to bifurcation in Cope rearrangements” ACS Spring National Meeting, San Diego, 24 - 28 March 2025.

2. A. Mirzanejad, L. Muechler, “Oral: Multi-Reference Approaches Unveil Electrocyclization Bifurcations in Cope Rearrangements” ACS Spring National Meeting, New Orleans, 17 - 21 March 2024.

3. A. Mirzanejad, C. Daggett, Z. Xie, L. Muechler “Poster: Topological Classification of Chemical Reactions: A New Tool to Understand and Manipulate Chemical Reactivity” Materials Day 2023, State College, 26 - 27 October 2023.

4. A. Mirzanejad, L. Muechler, “Poster: Molecular Geometry, Not Orbital Overlap Determines Stereochemistry of Electrocyclic Reactions” Physical Organic Chemistry Gordon Research Conference, Holderness, June 25 - 30, 2023.

5. A. Mirzanejad, S. A. Varganov, “Poster: Multi-State Reactivity in Iron-Activated C–H Bond” American Con- ference on Theoretical Chemistry (ACTC), Palisades Tahoe, July 25 - 28, 2022.

6. A. Mirzanejad, S. A. Varganov, “Oral: Iron-Catalyzed Multi-State Activation of C(sp2)–H Bond” ACS Spring 2022 National Meeting, San Diego, March 20 - 24, 2022.

7. D. S. Kaliakin, A. Mirzanejad, A. J. Pohlman, S. M. Casey, S. A. Varganov, “Oral: Role of Electron Spin in Catalytic Reaction Mechanisms” Synergies between Theory, Experiment and Data Science towards Clean Energy, 2020.

8. A. Mirzanejad, S. Ahmadvand, S. A. Varganov, “Poster: Spin-Forbidden Formation of Amide Molecules in the Interstellar Medium” AbGradCon 2019, Salt Lake City, July 22-26, 2019.

9. A. Mirzanejad, S. Ahmadvand, S. A. Varganov, “Poster: Computational Modeling of C2H5NO Isomers For- mation in the Interstellar Medium” AbGradCon 2018, Atlanta, June 04 - 08, 2018.