Science Annex 504, Georgia State University, Atlanta, GA 30303.
Phone: (404)413-5569.   Email:
Copyright © Gozem Lab 2017
30. Electronic Spectra of Flavin in Different Redox and Protonation States: A Computational Perspective on the Effect 
      of the Electrostatic Environment
      Kabir MP, Orozco-Gonzalez Y, Gozem S.
      Phys. Chem. Chem. Phys. 21, 16526—16537. 2019. [html]

29. Electrostatic Spectral Tuning Maps for Biological Chromophores
      Orozco-Gonzalez Y, Kabir MP, Gozem S.
      J. Phys. Chem. B. 123, 4813—4824. 2019. [html]

28. Fluorescence Properties of Flavin Semiquinone Radicals in Nitronate Monooxygenase
      Su D, Kabir MP, Orozco-Gonzalez Y, Gozem S, Gadda G.
      ChemBioChem. 20, 1646—1652. 2019. [html]

27. Vacuum ultraviolet photoionization cross section of the hydroxyl radical
      Dodson LG; Savee JD; Gozem S; Shen L; Krylov AI; Taatjes CA; Osborn DL; Okumura M.
      J. Chem. Phys. 148, 184302. 2018. [html] [pdf]

26. Theory and Simulation of the Ultrafast Double-Bond Isomerization of Biological Chromophores
      Gozem S; Luk HL; Schapiro I; Olivucci M.
      Chem. Rev.  117, 13502—13565. 2017. [html]

25. Supramolecular Sensors for Opiates and Their Metabolites
      Shcherbakova E; Zhang B; Gozem S; Minami T; Zavalij P; Pushina M; Isaacs L; Anzenbacher P
     J. Am. Chem. Soc. 139, 14954—14960. 2017. [html]

24. Photoelectron Spectroscopy Study of Quinonimides
      Hossain E; Deng SM; Gozem S; Krylov AI; Wang XB; Wenthold PG
     J. Am. Chem. Soc. 139, 11138—11148. 2017. [html] [pdf]

23. Electronic Spectra of Tris(2,2'-bipyridine)-M(II) Complex Ions in Vacuo (M = Fe and Os)
       Xu S; Smith J; Gozem S; Krylov AI; Weber JM
       Inorg. Chem. 56, 7029—7037. 2017. [html] [pdf]

22. Fluorescence-Based Assay for Carbonic Anhydrase Inhibitors
      Koutnik P; Shcherbakova EG; Cagayan MG; Gozem S; Minami T; Anzenbacher P
      Chem. 2, 271—282. 2017. [html] [pdf]

21. A Study of Interstellar Aldehydes and Enols as Tracers of a Cosmic Ray-Driven Nonequilibrium Synthesis
      of Complex Organic Molecules
      Abplanalp MJ; Gozem S; Krylov AI; Shingledecker CN; Herbst E; Kaiser RI
      Proc. Natl. Acad. Sci. U.S.A. 113, 7727—7732. 2016. [html] [pdf]

20. Probing the Photodynamics of Rhodopsins with Reduced Retinal Chromophores
      Manathunga M;  Yang X; Luk HL; Gozem S; Frutos LM; Valentini A; Ferré N; Olivucci M
     J. Chem. Theory Comput. 12, 839–850. 2016. [html]

19. Ligand Influence on the Electronic Spectra of Monocationic Copper–Bipyridine Complexes
      Xu S; Gozem S; Krylov AI; Christopher CR; Weber JM
      Phys. Chem. Chem. Phys. 17, 31938–31946. 2015. [html] [pdf]

18. Photoelectron Wave Function in Photoionization: Plane wave or Coulomb wave?
      Gozem S; Gunina AO; Ichino T; Osborn DL; Stanton JF; Krylov AI
      J. Phys. Chem. Lett. 6, 4532–4540. 2015. [html] [pdf]

17. Molecular Bases for the Selection of the Chromophore of Animal Rhodopsins
      Luk HL; Melaccio F; Rinaldi S; Gozem S; Olivucci M
      Proc. Natl. Acad. Sci. U.S.A. 112, 15297–15302. 2015. [html] [pdf]

16. Assessment of Approximate Coupled-Cluster and Algebraic-Diagrammatic-Construction Methods for
      Ground- and Excited-State Reaction Paths and the Conical-Intersection Seam of a Retinal-Chromophore
      Tuna D; Lefrancois D; Wolański Ł; Gozem S; Schapiro I; Andruniów T; Dreuw A; Olivucci M
      J. Chem. Theory Comput. 11, 5758–5781. 2015. [html]

15. Quantum Monte Carlo Treatment of the Charge Transfer and Diradical Electronic Character in a Retinal
      Chromophore Minimal Model
      Zen A; Coccia E; Gozem S; Olivucci M; Guidoni L
     J. Chem. Theory Comput. 11, 992–1005. 2015. [html] [pdf]

14. A Conical Intersection Controls the Deactivation of the Bacterial Luciferase Fluorophore
      Gozem S; Mirzakulova E; Schapiro I; Melaccio F; Glusac KD; Olivucci M
      Angew. Chem. Int. Ed. 53, 9870–9875. 2014. [html] [pdf]

13. Shape of Multireference, Equation-of-Motion Coupled-Cluster, and Density Functional Theory Potential
      Energy Surfaces at a Conical Intersection
      Gozem S; Melaccio F; Valentini A; Filatov M; Huix-Rotllant M; Ferré N; Frutos LM; Angeli C; Krylov AI;
      Granovsky AA; Lindh R; Olivucci M
      J. Chem. Theory Comput. 10, 3074–3084. 2014. [html] [pdf]

12. Learning from Photobiology how to Design Molecular Devices Using a Computer
      Gozem S; Melaccio F; Luk HL; Rinaldi S; Olivucci M
      Chem. Soc. Rev. 43, 4019-4036. 2014. [html] [pdf]

11. Comparison of the Isomerization Mechanisms of Human Melanopsin and Invertebrate and Vertebrate
     Rinaldi S; Melaccio F; Gozem S; Fanelli F; Olivucci M
     Proc. Natl. Acad. Sci. U.S.A. 111, 1714–1719. 2014. [html] [pdf]

10. Probing Vibrationally Mediated Ultrafast Excited-State Reaction Dynamics with Multireference (CASPT2)
      El-Khoury PZ; Joseph S; Schapiro I; Gozem S; Olivucci M; Tarnovsky AN
     J. Phys. Chem. A. 117, 11271–11275. 2013. [html]

9. Mapping the Excited State Potential Energy Surface of a Retinal Chromophore Model with Multireference
    and Equation-of-Motion Coupled-Cluster Methods
    Gozem S; Melaccio F; Lindh R; Krylov AI; Granovsky AA; Angeli C; Olivucci M
    J. Chem. Theory Comput. 9, 4495–4506. 2013. [html]

8. Towards an Understanding of the Retinal Chromophore in Rhodopsin Mimics
     Huntress MM; Gozem S; Malley K; Jailaubekov A; Vasileiou C; Vengris M; Geiger J; Borhan B; Schapiro I;
     Larsen D; Olivucci M
     J. Phys. Chem. B. 117, 10053–10070. 2013. [html] [pdf]

7. Assessment of Density Functional Theory for Describing the Correlation Effects on the Ground and Excited
    State Potential Energy Surfaces of a Retinal Chromophore Model
    Huix-Rotllant M; Filatov M; Gozem S; Schapiro I; Olivucci M; Ferré N
    J. Chem. Theory Comput. 9, 3917–3932. 2013. [html] [pdf]

6. Combined Self-Consistent-Field and Spin-Flip Tamm-Dancoff Density Functional Approach to Potential
    Energy Surfaces for Photochemistry
    Xu X; Gozem S; Olivucci M; Truhlar D
    J. Phys. Chem. Lett. 4, 253–258. 2013. [html]

5. Conical Intersection and Potential Energy Surface Features of a Model Retinal Chromophore: Comparison
    of EOM-CC and Multireference Methods
    Gozem S; Krylov AI; Olivucci M
    J. Chem. Theory Comput. 9, 284–292. 2013. [html]

4. Dynamic Electron Correlation Effects on the Ground State Potential Energy Surface of a Retinal
     Chromophore Model
     Gozem S; Huntress M; Schapiro I; Lindh R; Granovsky AA; Angeli C; Olivucci M
     J. Chem. Theory Comput. 8, 4069–4080. 2012. [html]

3. The Molecular Mechanism of Thermal Noise in Rod Photoreceptors
     Gozem S; Schapiro I; Ferré N; Olivucci M
     Science. 137, 1225–1228. 2012. [html] [pdf]

2. Origin of Fluorescence in 11-cis Locked Bovine Rhodopsin
    Laricheva EN; Gozem S; Rinaldi S; Melaccio F; Valentini A ; Olivucci M
   J. Chem. Theory Comput. 8, 2559–2563. 2012. [html]

1. Calculations on the Kinetics, Thermodynamics, and Selectivity of Methyl Radical Addition to Olefins
    Coordinated to d8 and d0 Transition-Metal Fragments: Two Distinct and Opposite anti-Evans−Polanyi
    Effects with Potential Practical Implications
    Hasanayn F; Gozem S
    Organometallics. 27, 5426–5429. 2008. [html]