Publications
  1. Photoinduced Long-Distance Charge Transfer in Silicanes: The Stacking Matters
    G Yao, E Pradhan, Z Yang, T Zeng
    Nano Letters, 2025 (2025)
    [Read-the-Article]
  2. Ligand impacts on band edge energies and excited state splittings of silicane
    G Yao, E Pradhan, Z Yang, T Zeng
    Physical Chemistry Chemical Physics 27 (9), 4845-4857, 2025 (2025)
    [Read-the-Article]
  3. From flat to twisted–multifunctional phosphacyclic nanocarbons based on Vat Orange 3
    R Dadgaryeganeh, J LeBlanc, E Pradhan, D Miao, A Hussein, HN Hunter, ...
    Chemical Science, 2025 (2025)
    [Read-the-Article]
  4. Adiabat‐to‐Diabat Angle in Seam Space: Renner‐Teller‐Type and Pseudo‐Jahn‐Teller‐Type Problems
    BJ Chen, E Pradhan, M Nooijen, T Zeng
    ChemPhysChem 25 (11), e202400130, 2024 (2024)
    [Read-the-Article]
  5. Stability and reactivity of alkylidene dihydropyridines
    M Puzhistky, E Pradhan, A Nikolaev, T Zeng, D Fishlock, A Orellana
    Organic & Biomolecular Chemistry 22 (20), 4052-4056, 2024 (2024)
    [Read-the-Article]
  6. Cover Feature: Adiabat‐to‐Diabat Angle in Seam Space: Renner‐Teller‐Type and Pseudo‐Jahn‐Teller‐Type Problems (ChemPhysChem 11/2024)
    BJ Chen, E Pradhan, M Nooijen, T Zeng
    ChemPhysChem 25 (11), e202400527, 2024 (2024)
    [Read-the-Article]
  7. BF3-Catalyzed Intramolecular Fluorocarbamoylation of Alkynes via Halide Recycling
    EA McKnight, R Arora, E Pradhan, YH Fujisato, AJ Ajayi, M Lautens, ...
    Journal of the American Chemical Society 145 (20), 11012-11018, 2023 (2023)
    [Read-the-Article]
  8. Triplet separation after the fastest intramolecular singlet fission in the smallest chromophore
    E Pradhan, T Zeng
    Journal of Chemical Theory and Computation 19 (7), 2092-2101, 2023 (2023)
    [Read-the-Article]
  9. Exploring the Lewis Acidity and Reactivity of Neutral Pentacoordinate Dithienophospholes
    N Asok, BA Zondag, E Pradhan, M Odagwe, J LeBlanc, JC Walsh, ...
    Chemistry–A European Journal, e202300173, 2023 (2023)
    [Read-the-Article]
  10. The Lack of Triplet Fusion for an Intramolecular Singlet Fission Chromophore: The Expected, the Unexpected, and a Reconciliation
    E Pradhan, T Zeng
    The Journal of Physical Chemistry Letters 15 (1), 43-50, 2023 (2023)
    [Read-the-Article]
  11. The Unified Hamiltonian Formalism of Spin–Orbit Jahn–Teller and Pseudo-Jahn–Teller Problems in All Axial Symmetries
    E Pradhan, T Zeng
    Journal of Chemical Theory and Computation 19 (21), 7776-7786, 2023 (2023)
    [Read-the-Article]
  12. Dicarbonyl anthracenes and phenanthrenes as singlet fission chromophores
    D James, E Pradhan, S Lee, CH Choi, T Zeng
    Canadian Journal of Chemistry 100 (7), 520-529, 2022 (2022)
    [Read-the-Article]
  13. Design of the smallest intramolecular singlet fission chromophore with the fastest singlet fission
    E Pradhan, T Zeng
    The Journal of Physical Chemistry Letters 13 (48), 11076-11085, 2022 (2022)
    [Read-the-Article]
  14. Design of singlet fission chromophores by the introduction of N-oxyl fragments
    D James, E Pradhan, T Zeng
    The Journal of Chemical Physics 156 (3), 2022 (2022)
    [Read-the-Article]
  15. Postsynthetic crystalline transformation in two-dimensional perovskites via organothiol-based chemistry
    Z Yuan, L Zhao, E Pradhan, M Lai, T Zeng, Z Yang
    CCS Chemistry 4 (3), 855-863, 2022 (2022)
    [Read-the-Article]
  16. Unified one-electron Hamiltonian formalism of spin–orbit Jahn–Teller and pseudo-Jahn–Teller problems in tetrahedral and octahedral symmetries
    E Pradhan, G Yao, Z Yang, T Zeng
    The Journal of Chemical Physics 157 (6), 2022 (2022)
    [Read-the-Article]
  17. Structure-reactivity studies on hypervalent square-pyramidal dithieno [3, 2-b: 2′, 3′-d] phospholes
    N Asok, JR Gaffen, E Pradhan, T Zeng, T Baumgartner
    Dalton Transactions 50 (6), 2243-2252, 2021 (2021)
    [Read-the-Article]
  18. The synthesis, properties, and reactivity of Lewis acidic aminoboranes
    JN Bentley, SA Simoes, E Pradhan, T Zeng, CB Caputo
    Organic & Biomolecular Chemistry 19 (21), 4796-4802, 2021 (2021)
    [Read-the-Article]
  19. Unified one-electron Hamiltonian formalism of spin–orbit Jahn–Teller and pseudo-Jahn–Teller problems in axial symmetries
    J Brown, E Pradhan, T Zeng
    The Journal of Chemical Physics 155 (22), 2021 (2021)
    [Read-the-Article]
  20. Diboron-and diaza-doped anthracenes and phenanthrenes: their electronic structures for being singlet fission chromophores
    E Pradhan, S Lee, CH Choi, T Zeng
    The Journal of Physical Chemistry A 124 (40), 8159-8172, 2020 (2020)
    [Read-the-Article]
  21. Designs of Singlet Fission Chromophores with a Diazadiborinine Framework
    E Pradhan, JN Bentley, CB Caputo, T Zeng
    ChemPhotoChem 4 (11), 5279-5287, 2020 (2020)
    [Read-the-Article]
  22. Bis (pentafluorophenyl) phenothiazylborane–an intramolecular frustrated Lewis pair catalyst for stannane dehydrocoupling
    JN Bentley, E Pradhan, T Zeng, CB Caputo
    Dalton Transactions 49 (45), 16054-16058, 2020 (2020)
    [Read-the-Article]
  23. The lowest lying excited electronic states for HFCO including a potential energy surface for S 1 in sum-of-products form
    E Pradhan, A Brown
    Molecular Physics 118 (12), e1674936, 2020 (2020)
    [Read-the-Article]
  24. Bis (pentafluorophenyl) phenothiazylborane–A Pseudo Frustrated Radical Pair for the Catalytic Dehydrocoupling of Stannanes
    JN Bentley, E Pradhan, T Zeng, CB Caputo
    (2020)
    [Read-the-Article]
  25. Non-adiabatic molecular dynamics with ΔSCF excited states
    E Pradhan, K Sato, AV Akimov
    Journal of Physics: Condensed Matter 30 (48), 484002, 2018 (2018)
    [Read-the-Article]
  26. Charge transfer dynamics at the boron subphthalocyanine chloride/C 60 interface: non-adiabatic dynamics study with Libra-X
    K Sato, E Pradhan, R Asahi, AV Akimov
    Physical Chemistry Chemical Physics 20 (39), 25275-25294, 2018 (2018)
    [Read-the-Article]
  27. A ground state potential energy surface for HONO based on a neural network with exponential fitting functions
    E Pradhan, A Brown
    Physical Chemistry Chemical Physics 19 (33), 22272-22281, 2017 (2017)
    [Read-the-Article]
  28. Fitting potential energy surfaces to sum-of-products form with neural networks using exponential neurons
    A Brown, E Pradhan
    Journal of Theoretical and Computational Chemistry 16 (05), 1730001, 2017 (2017)
    [Read-the-Article]
  29. Non-adiabatic molecular dynamics with delta self-consistent field excited states (Delta SCF-NA-MD)
    E Pradhan
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 254, 2017 (2017)
    [Read-the-Article]
  30. Vibrational energies for HFCO using a neural network sum of exponentials potential energy surface
    E Pradhan, A Brown
    The Journal of Chemical Physics 144 (17), 2016 (2016)
    [Read-the-Article]
  31. Neural network exponential fitting of a potential energy surface with multiple minima: Application to HFCO
    E Pradhan, A Brown
    Journal of Molecular Spectroscopy 330, 158-164, 2016 (2016)
    [Read-the-Article]
  32. Scaling relationships for nonadiabatic energy relaxation times in warm dense matter: toward understanding the equation of state
    E Pradhan, RJ Magyar, AV Akimov
    Physical Chemistry Chemical Physics 18 (47), 32466-32476, 2016 (2016)
    [Read-the-Article]
  33. Potential Energy Surfaces for Quantum Dynamics Simulations: From ab initio Computations to Vibrational State Determinations
    E Pradhan
    (2016)
    [Read-the-Article]
  34. Ab Initio Potential Energy and Dipole Moment Surfaces for CS2: Determination of Molecular Vibrational Energies
    E Pradhan, JL Carreon-Macedo, JE Cuervo, M Schröder, A Brown
    The Journal of Physical Chemistry A 117 (32), 6925-6931, 2013 (2013)
    [Read-the-Article]
  35. Solvation shell dynamics of Na+ and Cl− ion pairs in selected water-DMSO mixtures
    E Pradhan, BL Tembe
    Procedia Computer Science 1 (1), 1165-1173, 2010 (2010)
    [Read-the-Article]
  36. Supplementary Material for “Neural Network Exponential Fitting of a Potential Energy Surface with Multiple Minima: Application to HFCO”
    E Pradhan, A Brown
    ()
    [Read-the-Article]