Publications

2025
Daniely, A. ; Zamir, A. ; Eisenberg, H. R. ; Livshits, E. ; Piacentino, E. ; Bergner, J. B. ; Oberg, K. I. ; Stein, T. . Photochemical Pathways In Astronomical Ices: A Computational Study Of Singlet Oxygen Reactions With Hydrocarbons. The Journal of Chemical Physics 2025, 162, 014303-0144317.
Carmiel-Kostan, M. ; Theodoridi, A. ; Eisenberg, H. R. ; Stein, T. ; Langhammer, C. ; Gross, E. . Nanoscale Analysis Of Sulfur Poisoning Effects On Hydrogen Sorption In Single Pd Nanoparticles. 2025.
Hayman, A. ; Levy, N. ; Goshen, Y. ; Fraenke, M. ; Kraisler, E. ; Stein, T. . Spin Migration In Density Functional Theory: Energy, Potential, And Density Perspectives. The Journal of Chemical Physics 2025, 162, 114301-114312.
2024
Daniely, A. ; Wannenmacher, A. ; Levy, N. ; Sheffer, O. ; Joseph, E. ; Kostko, O. ; Ahmed, M. ; Stein, T. . A Vacuum Ultraviolet Photoionization Mass Spectrometry And Density Functional Calculation Study Of Formic Acid&Ndash;Water Clusters. The Journal of Physical Chemistry A 2024, 128, 6392-6401.
Torres-Boy, A. Y. ; Taccone, M. I. ; Kirschbaum, C. ; Ober, K. ; Stein, T. ; Meijer, G. ; von Helden, G. . Investigation Of The Proton-Bound Dimer Of Dihydrogen Phosphate And Formate Using Infrared Spectroscopy In Helium Droplets. The Journal of Physical Chemistry A 2024, 128, 4456-4466.
2022
Grunhaus, D. ; Molina, E. R. ; Cohen, R. ; Stein, T. ; Friedler, A. ; Hurevich, M. . Accelerated Multiphosphorylated Peptide Synthesis. Organic Process Research & Development 2022, 26, 2492-2497.
Zamir, A. ; Stein, T. . Isomerization Of Hydrogen Cyanide And Hydrogen Isocyanide In A Cluster Environment: Quantum Chemical Study . The Journal of Chemical Physics 2022, 156.
Zamir, A. ; Molina, E. R. ; Ahmed, M. ; Stein, T. . Water Confinement In Small Polycyclic Aromatic Hydrocarbons. Physical Chemistry Chemical Physics 2022, 24, 28788-28793.
Berg, I. ; Eisenberg, H. ; et al., . The Influence Of Adsorption Geometry On The Reduction Affinity Of Nitroaromatics On Au (111). Physical Chemistry Chemical Physics 2022, 24, 22960-22970.
Molina, E. R. ; Xu, B. ; Kostko, O. ; Ahmed, M. ; Stein, T. . A Combined Theoretical And Experimental Study Of Small Anthracene&Ndash;Water Clusters. Physical Chemistry Chemical Physics 2022, 24, 23106-23118.
2021
Molina, E. R. ; Stein, T. . The Effect Of Cluster Size On The Intra-Cluster Ionic Polymerization Process. Molecules 2021, 26, 4782.
2021
Jose, J. ; Zamir, A. ; Stein, T. . Molecular Dynamics Reveals Formation Path Of Benzonitrile And Other Molecules In Conditions Relevant To The Interstellar Medium. Proceedings of the National Academy of Sciences 2021, 118.
2021
Eghbarieh, N. ; Hanania, N. ; Zamir, A. ; Nassir, M. ; Stein, T. ; Masarwa, A. . Stereoselective Diels&Ndash;Alder Reactions Of Gem-Diborylalkenes: Toward The Synthesis Of Gem-Diboron-Based Polymers. Journal of the American Chemical Society 2021, 143, 6211-6220.
2021
2020
Amit, E. ; Dery, L. ; Dery, S. ; Kim, S. ; Roy, A. ; Hu, Q. ; Gutkin, V. ; Eisenberg, H. ; Stein, T. ; Mandler, D. ; et al. Electrochemical Deposition Of N-Heterocyclic Carbene Monolayers On Metal Surfaces. Nature Communications 2020, 11, 5714.
2020
Stein, T. ; Bera, P. P. ; Lee, T. J. ; Head-Gordon, M. . Molecular Growth Upon Ionization Of Van Der Waals Clusters Containing Hcch And Hcn Is A Pathway To Prebiotic Molecules. Physical Chemistry Chemical Physics 2020, 22, 20337-20348.
2020
Kumar, N. ; Eghbarieh, N. ; Stein, T. ; Shames, A. I. ; Masarwa, A. . Photoredox-Mediated Reaction Of Gem-Diborylalkenes: Reactivity Toward Diverse 1,1-Bisborylalkanes. Chemistry—A European Journal 2020, 26, 5360-5364.
2020
Stein, T. ; Jose, J. . Molecular Formation Upon Ionization Of Van Der Waals Clusters And Implication To Astrochemistry. Israel Journal of Chemistry 2020, 60, 1-9.
2020
2019
Xu, B. ; Stein, T. ; Ablikim, U. ; Jiang, L. ; Hendrix, J. ; Head-Gordon, M. ; Ahmed, M. . Probing Solvation And Reactivity In Ionized Polycyclic Aromatic Hydrocarbon&Ndash;Water Clusters With Photoionization Mass Spectrometry And Electronic Structure Calculations. Faraday discussions 2019, 217, 414-433.
2019
2017
Bera, P. P. ; Stein, T. ; Head-Gordon, M. ; Lee, T. J. . Mechanisms Of The Formation Of Adenine, Guanine, And Their Analogues In Uv-Irradiated Mixed Nh3: H2O Molecular Ices Containing Purine. Astrobiology 2017, 17, 771.
2017
Stein, T. ; Bandyopadhyay, B. ; Troy, T. P. ; Fang, Y. ; Kostko, O. ; Ahmed, M. ; Head-Gordon, M. . Ab Initio Dynamics And Photoionization Mass Spectrometry Reveal Ion&Ndash;Molecule Pathways From Ionized Acetylene Clusters To Benzene Cation. Proceedings of the National Academy of Sciences 2017, 114, E4125.
2017

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