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Samer Gozem - Publications

Affiliations: 
2008-2013 Bowling Green State University, Bowling Green, OH, United States 
 2014-2017 Chemistry University of Southern California, Los Angeles, CA, United States 
 2017- Georgia State University, Atlanta, GA, United States 
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44 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2022 Ru B, Hart CA, Mabbs R, Gozem S, Krylov AI, Sanov A. Dipole effects in the photoelectron angular distributions of the sulfur monoxide anion. Physical Chemistry Chemical Physics : Pccp. PMID 36129043 DOI: 10.1039/d2cp03337b  0.519
2022 Yang X, Manathunga M, Gozem S, Léonard J, Andruniów T, Olivucci M. Quantum-classical simulations of rhodopsin reveal excited-state population splitting and its effects on quantum efficiency. Nature Chemistry. 14: 441-449. PMID 35241801 DOI: 10.1038/s41557-022-00892-6  0.479
2021 Nikolaev DM, Manathunga M, Orozco-Gonzalez Y, Shtyrov AA, Guerrero Martínez YO, Gozem S, Ryazantsev MN, Coutinho K, Canuto S, Olivucci M. Free Energy Computation for an Isomerizing Chromophore in a Molecular Cavity via the Average Solvent Electrostatic Configuration Model: Applications in Rhodopsin and Rhodopsin-Mimicking Systems. Journal of Chemical Theory and Computation. PMID 34379429 DOI: 10.1021/acs.jctc.1c00221  0.519
2021 Giuliani G, Melaccio F, Gozem S, Cappelli A, Olivucci M. QM/MM Investigation of the Spectroscopic Properties of the Fluorophore of Bacterial Luciferase. Journal of Chemical Theory and Computation. PMID 33449693 DOI: 10.1021/acs.jctc.0c01078  0.541
2020 Gozem S, Seidel R, Hergenhahn U, Lugovoy E, Abel B, Winter B, Krylov AI, Bradforth SE. Probing the Electronic Structure of Bulk Water at the Molecular Lengthscale with Angle-Resolved Photoelectron Spectroscopy. The Journal of Physical Chemistry Letters. PMID 32479725 DOI: 10.1021/Acs.Jpclett.0C00968  0.542
2020 Gozem S, Johnson PJM, Halpin A, Luk HL, Morizumi T, Prokhorenko VI, Ernst OP, Olivucci M, Miller RJD. Excited State Vibronic Dynamics of Bacteriorhodopsin From 2D Electronic Photon Echo Spectroscopy and Multi-Configurational Quantum Chemistry. The Journal of Physical Chemistry Letters. PMID 32330041 DOI: 10.1021/Acs.Jpclett.0C01063  0.601
2019 Kabir MP, Orozco-Gonzalez Y, Gozem S. Electronic spectra of flavin in different redox and protonation states: a computational perspective on the effect of the electrostatic environment. Physical Chemistry Chemical Physics : Pccp. 21: 16526-16537. PMID 31312822 DOI: 10.1039/C9Cp02230A  0.421
2019 Orozco-Gonzalez Y, Kabir MP, Gozem S. Electrostatic Spectral Tuning Maps for Biological Chromophores. The Journal of Physical Chemistry. B. 123: 4813-4824. PMID 30869891 DOI: 10.1021/Acs.Jpcb.9B00489  0.419
2019 Gadda G, Su D, Kabir MP, Orozco-Gonzalez Y, Gozem S. Fluorescence Properties of Flavin Semiquinone Radicals in Nitronate Monooxygenase. Chembiochem : a European Journal of Chemical Biology. PMID 30748074 DOI: 10.1002/Cbic.201900016  0.362
2018 Dodson LG, Savee JD, Gozem S, Shen L, Krylov AI, Taatjes CA, Osborn DL, Okumura M. Vacuum ultraviolet photoionization cross section of the hydroxyl radical. The Journal of Chemical Physics. 148: 184302. PMID 29764149 DOI: 10.1063/1.5024249  0.51
2017 Gozem S, Luk HL, Schapiro I, Olivucci M. Theory and Simulation of the Ultrafast Double-Bond Isomerization of Biological Chromophores. Chemical Reviews. PMID 29083892 DOI: 10.1021/Acs.Chemrev.7B00177  0.693
2017 Hossain E, Deng SM, Gozem S, Krylov AI, Wang XB, Wenthold PG. Photoelectron Spectroscopy Study of Quinonimides. Journal of the American Chemical Society. PMID 28732445 DOI: 10.1021/Jacs.7B05197  0.574
2017 Xu S, Smith JET, Gozem S, Krylov AI, Weber JM. Electronic Spectra of Tris(2,2'-bipyridine)-M(II) Complex Ions in Vacuo (M = Fe and Os). Inorganic Chemistry. PMID 28586198 DOI: 10.1021/Acs.Inorgchem.7B00620  0.486
2016 Abplanalp MJ, Gozem S, Krylov AI, Shingledecker CN, Herbst E, Kaiser RI. A study of interstellar aldehydes and enols as tracers of a cosmic ray-driven nonequilibrium synthesis of complex organic molecules. Proceedings of the National Academy of Sciences of the United States of America. PMID 27382172 DOI: 10.1073/Pnas.1604426113  0.481
2015 Tuna D, Lefrancois D, Wolański Ł, Gozem S, Schapiro I, Andruniów T, Dreuw A, Olivucci M. 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 Model. Journal of Chemical Theory and Computation. 11: 5758-81. PMID 26642989 DOI: 10.1021/Acs.Jctc.5B00022  0.722
2015 Manathunga M, Yang X, Luk HL, Gozem S, Frutos LM, Valentini A, Ferré N, Olivucci M. Probing the Photodynamics of Rhodopsins with Reduced Retinal Chromophores. Journal of Chemical Theory and Computation. PMID 26640959 DOI: 10.1021/Acs.Jctc.5B00945  0.774
2015 Luk HL, Melaccio F, Rinaldi S, Gozem S, Olivucci M. Molecular bases for the selection of the chromophore of animal rhodopsins. Proceedings of the National Academy of Sciences of the United States of America. PMID 26607446 DOI: 10.1073/Pnas.1510262112  0.565
2015 Xu S, Gozem S, Krylov AI, Christopher CR, Mathias Weber J. Ligand influence on the electronic spectra of monocationic copper-bipyridine complexes. Physical Chemistry Chemical Physics : Pccp. PMID 26567523 DOI: 10.1039/C5Cp05063D  0.558
2015 Gozem S, Gunina AO, Ichino T, Osborn DL, Stanton JF, Krylov AI. Photoelectron Wave Function in Photoionization: Plane Wave or Coulomb Wave? The Journal of Physical Chemistry Letters. PMID 26509428 DOI: 10.1021/Acs.Jpclett.5B01891  0.728
2015 Zen A, Coccia E, Gozem S, Olivucci M, Guidoni L. Quantum Monte Carlo Treatment of the Charge Transfer and Diradical Electronic Character in a Retinal Chromophore Minimal Model. Journal of Chemical Theory and Computation. 11: 992-1005. PMID 25821414 DOI: 10.1021/Ct501122Z  0.634
2015 Zen A, Coccia E, Gozem S, Olivucci M, Guidoni L. Quantum monte carlo treatment of the charge transfer and diradical electronic character in a retinal chromophore minimal model Journal of Chemical Theory and Computation. 11: 992-1005. DOI: 10.1021/ct501122z  0.483
2014 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. Shape of Multireference, Equation-of-Motion Coupled-Cluster, and Density Functional Theory Potential Energy Surfaces at a Conical Intersection. Journal of Chemical Theory and Computation. 10: 3074-84. PMID 26588278 DOI: 10.1021/Ct500154K  0.784
2014 Gozem S, Mirzakulova E, Schapiro I, Melaccio F, Glusac KD, Olivucci M. A conical intersection controls the deactivation of the bacterial luciferase fluorophore. Angewandte Chemie (International Ed. in English). 53: 9870-5. PMID 25045117 DOI: 10.1002/Anie.201404011  0.692
2014 Gozem S, Melaccio F, Luk HL, Rinaldi S, Olivucci M. Learning from photobiology how to design molecular devices using a computer Chemical Society Reviews. 43: 4019-4036. PMID 24811294 DOI: 10.1039/C4Cs00037D  0.488
2014 Rinaldi S, Melaccio F, Gozem S, Fanelli F, Olivucci M. Comparison of the isomerization mechanisms of human melanopsin and invertebrate and vertebrate rhodopsins Proceedings of the National Academy of Sciences of the United States of America. 111: 1714-1719. PMID 24449866 DOI: 10.1073/Pnas.1309508111  0.58
2014 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. Shape of multireference, equation-of-motion coupled-cluster, and density functional theory potential energy surfaces at a conical intersection Journal of Chemical Theory and Computation. 10: 3074-3084. DOI: 10.1021/ct500154k  0.719
2014 Gozem S, Mirzakulova E, Schapiro I, Melaccio F, Glusac KD, Olivucci M. A conical intersection controls the deactivation of the bacterial luciferase fluorophore Angewandte Chemie - International Edition. 53: 9870-9875. DOI: 10.1002/anie.201404011  0.593
2013 Huix-Rotllant M, Filatov M, Gozem S, Schapiro I, Olivucci M, Ferré N. Assessment of Density Functional Theory for Describing the Correlation Effects on the Ground and Excited State Potential Energy Surfaces of a Retinal Chromophore Model. Journal of Chemical Theory and Computation. 9: 3917-32. PMID 26592387 DOI: 10.1021/Ct4003465  0.789
2013 Gozem S, Melaccio F, Lindh R, Krylov AI, Granovsky AA, Angeli C, Olivucci M. Mapping the Excited State Potential Energy Surface of a Retinal Chromophore Model with Multireference and Equation-of-Motion Coupled-Cluster Methods. Journal of Chemical Theory and Computation. 9: 4495-506. PMID 26589167 DOI: 10.1021/Ct400460H  0.708
2013 Gozem S, Krylov AI, Olivucci M. Conical Intersection and Potential Energy Surface Features of a Model Retinal Chromophore: Comparison of EOM-CC and Multireference Methods. Journal of Chemical Theory and Computation. 9: 284-92. PMID 26589030 DOI: 10.1021/Ct300759Z  0.72
2013 Xu X, Gozem S, Olivucci M, Truhlar DG. Combined Self-Consistent-Field and Spin-Flip Tamm-Dancoff Density Functional Approach to Potential Energy Surfaces for Photochemistry. The Journal of Physical Chemistry Letters. 4: 253-8. PMID 26283430 DOI: 10.1021/Jz301935X  0.613
2013 El-Khoury PZ, Joseph S, Schapiro I, Gozem S, Olivucci M, Tarnovsky AN. Probing vibrationally mediated ultrafast excited-state reaction dynamics with multireference (CASPT2) trajectories. The Journal of Physical Chemistry. A. 117: 11271-5. PMID 24001155 DOI: 10.1021/Jp408441W  0.704
2013 Huntress MM, Gozem S, Malley KR, Jailaubekov AE, Vasileiou C, Vengris M, Geiger JH, Borhan B, Schapiro I, Larsen DS, Olivucci M. Toward an understanding of the retinal chromophore in rhodopsin mimics. The Journal of Physical Chemistry. B. 117: 10053-70. PMID 23971945 DOI: 10.1021/Jp305935T  0.717
2013 Xu X, Gozem S, Olivucci M, Truhlar DG. Combined self-consistent-field and spin-flip tamm-dancoff density functional approach to potential energy surfaces for photochemistry Journal of Physical Chemistry Letters. 4: 253-258. DOI: 10.1021/jz301935x  0.434
2013 El-Khoury PZ, Joseph S, Schapiro I, Gozem S, Olivucci M, Tarnovsky AN. Probing vibrationally mediated ultrafast excited-state reaction dynamics with multireference (CASPT2) trajectories Journal of Physical Chemistry A. 117: 11271-11275. DOI: 10.1021/jp408441w  0.677
2013 Gozem S, Melaccio F, Lindh R, Krylov AI, Granovsky AA, Angeli C, Olivucci M. Mapping the excited state potential energy surface of a retinal chromophore model with multireference and equation-of-motion coupled-cluster methods Journal of Chemical Theory and Computation. 9: 4495-4506. DOI: 10.1021/ct400460h  0.651
2013 Huix-Rotllant M, Filatov M, Gozem S, Schapiro I, Olivucci M, Ferré N. Assessment of density functional theory for describing the correlation effects on the ground and excited state potential energy surfaces of a retinal chromophore model Journal of Chemical Theory and Computation. 9: 3917-3932. DOI: 10.1021/ct4003465  0.716
2013 Gozem S, Krylov AI, Olivucci M. Conical intersection and potential energy surface features of a model retinal chromophore: Comparison of EOM-CC and multireference methods Journal of Chemical Theory and Computation. 9: 284-292. DOI: 10.1021/ct300759z  0.631
2012 Gozem S, Huntress M, Schapiro I, Lindh R, Granovsky AA, Angeli C, Olivucci M. Dynamic Electron Correlation Effects on the Ground State Potential Energy Surface of a Retinal Chromophore Model. Journal of Chemical Theory and Computation. 8: 4069-4080. PMID 26605574 DOI: 10.1021/Ct3003139  0.743
2012 Laricheva EN, Gozem S, Rinaldi S, Melaccio F, Valentini A, Olivucci M. Origin of Fluorescence in 11-cis Locked Bovine Rhodopsin. Journal of Chemical Theory and Computation. 8: 2559-63. PMID 26592102 DOI: 10.1021/Ct3002514  0.593
2012 Gozem S, Schapiro I, Ferré N, Olivucci M. The molecular mechanism of thermal noise in rod photoreceptors. Science (New York, N.Y.). 337: 1225-8. PMID 22955833 DOI: 10.1126/Science.1220461  0.759
2012 Gozem S, Schapiro I, Ferré N, Olivucci M. The molecular mechanism of thermal noise in rod photoreceptors Science. 337: 1225-1228. DOI: 10.1126/science.1220461  0.611
2012 Gozem S, Huntress M, Schapiro I, Lindh R, Granovsky AA, Angeli C, Olivucci M. Dynamic electron correlation effects on the ground state potential energy surface of a retinal chromophore model Journal of Chemical Theory and Computation. 8: 4069-4080. DOI: 10.1021/ct3003139  0.717
2012 Laricheva EN, Gozem S, Rinaldi S, Melaccio F, Valentini A, Olivucci M. Origin of fluorescence in 11-cis locked bovine rhodopsin Journal of Chemical Theory and Computation. 8: 2559-2563. DOI: 10.1021/ct3002514  0.395
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