| Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ... Molecular Physics 113 (2), 184-215, 2015 | 3018 | 2015 |
| Excitation gaps of finite-sized systems from optimally tuned range-separated hybrid functionals L Kronik, T Stein, S Refaely-Abramson, R Baer Journal of Chemical Theory and Computation 8 (5), 1515-1531, 2012 | 875 | 2012 |
| Reliable prediction of charge transfer excitations in molecular complexes using time-dependent density functional theory T Stein, L Kronik, R Baer Journal of the American Chemical Society 131 (8), 2818-2820, 2009 | 867 | 2009 |
| Fundamental gaps in finite systems from eigenvalues of a generalized Kohn-Sham method T Stein, H Eisenberg, L Kronik, R Baer Physical review letters 105 (26), 266802, 2010 | 482 | 2010 |
| Prediction of charge-transfer excitations in coumarin-based dyes using a range-separated functional tuned from first principles T Stein, L Kronik, R Baer The Journal of chemical physics 131 (24), 2009 | 381 | 2009 |
| Charge-transfer-like π→ π* excitations in time-dependent density functional theory: A conundrum and its solution N Kuritz, T Stein, R Baer, L Kronik Journal of chemical theory and computation 7 (8), 2408-2415, 2011 | 263 | 2011 |
| Seniority zero pair coupled cluster doubles theory T Stein, TM Henderson, GE Scuseria The Journal of chemical physics 140 (21), 2014 | 176 | 2014 |
| Curvature and frontier orbital energies in density functional theory T Stein, J Autschbach, N Govind, L Kronik, R Baer The journal of physical chemistry letters 3 (24), 3740-3744, 2012 | 176 | 2012 |
| Seniority-based coupled cluster theory TM Henderson, IW Bulik, T Stein, GE Scuseria The Journal of chemical physics 141 (24), 2014 | 137 | 2014 |
| Communication: Tailoring the optical gap in light-harvesting molecules A Karolewski, T Stein, R Baer, S Kümmel The Journal of chemical physics 134 (15), 2011 | 126 | 2011 |
| Calculation of transition dipole moment in fluorescent proteins—towards efficient energy transfer T Ansbacher, HK Srivastava, T Stein, R Baer, M Merkx, A Shurki Physical Chemistry Chemical Physics 14 (12), 4109-4117, 2012 | 74 | 2012 |
| Electrochemical deposition of N-heterocyclic carbene monolayers on metal surfaces E Amit, L Dery, S Dery, S Kim, A Roy, Q Hu, V Gutkin, H Eisenberg, ... Nature communications 11 (1), 5714, 2020 | 35 | 2020 |
| Mechanisms of the Formation of Adenine, Guanine, and Their Analogues in UV-Irradiated Mixed NH3:H2O Molecular Ices Containing Purine PP Bera, T Stein, M Head-Gordon, TJ Lee Astrobiology 17 (8), 771-785, 2017 | 32 | 2017 |
| Photoredox‐Mediated Reaction of gem‐Diborylalkenes: Reactivity Toward Diverse 1,1‐Bisborylalkanes N Kumar, N Eghbarieh, T Stein, AI Shames, A Masarwa Chemistry–A European Journal 26 (24), 5360-5364, 2020 | 28 | 2020 |
| Ab initio dynamics and photoionization mass spectrometry reveal ion–molecule pathways from ionized acetylene clusters to benzene cation T Stein, B Bandyopadhyay, TP Troy, Y Fang, O Kostko, M Ahmed, ... Proceedings of the National Academy of Sciences 114 (21), E4125-E4133, 2017 | 28 | 2017 |
| Stereoselective Diels–Alder Reactions of gem-Diborylalkenes: Toward the Synthesis of gem-Diboron-Based Polymers N Eghbarieh, N Hanania, A Zamir, M Nassir, T Stein, A Masarwa Journal of the American Chemical Society 143 (16), 6211-6220, 2021 | 24 | 2021 |
| Stability of Hemi-Bonded vs Proton-Transferred Structures of (H2O)2+, (H2S)2+, and (H2Se)2+ Studied with Projected Hartree–Fock Methods T Stein, CA Jiménez-Hoyos, GE Scuseria The Journal of Physical Chemistry A 118 (35), 7261-7266, 2014 | 23 | 2014 |
| Probing solvation and reactivity in ionized polycyclic aromatic hydrocarbon–water clusters with photoionization mass spectrometry and electronic structure calculations B Xu, T Stein, U Ablikim, L Jiang, J Hendrix, M Head-Gordon, M Ahmed Faraday discussions 217, 414-433, 2019 | 21 | 2019 |
| Probing ionic complexes of ethylene and acetylene with vacuum-ultraviolet radiation B Bandyopadhyay, T Stein, Y Fang, O Kostko, A White, M Head-Gordon, ... The Journal of Physical Chemistry A 120 (27), 5053-5064, 2016 | 12 | 2016 |
| Molecular formation upon ionization of van der Waals clusters and implication to astrochemistry T Stein, J Jose Israel Journal of Chemistry 60 (8-9), 842-849, 2020 | 11 | 2020 |
Roi BaerRatner Family Chair in Chemistry, Fritz Haber Center, The Hebrew University of JerusalemVerified email at huji.ac.il
