Showing 1 - 20 results of 40 for search 'American Chemical Society', query time: 0.18s Refine Results
  1. 1
    Triplet Excitation Energy Transfer with Constrained Density Functional Theory
    by Yeganeh, Sina, Van Voorhis, Troy
    Published 2012
    “...American Chemical Society,...”
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    Article
  2. 2
    Molecular Insight Into the Energy Levels at the Organic Donor/Acceptor Interface: A QM/MM Study
    “...American Chemical Society,...”
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    Article
  3. 3
    Simulation of Solution Phase Electron Transfer in a Compact Donor-Acceptor Dyad
    “...American Chemical Society,...”
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  4. 4
    On the Acid-Base Mechanism for Ruthenium Water Oxidation Catalysts
    “...American Chemical Society,...”
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  5. 5
    Exciton/Charge-transfer Electronic Couplings in Organic Semiconductors
    by Difley, Seth, Van Voorhis, Troy
    Published 2012
    “...American Chemical Society,...”
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    Article
  6. 6
    Fluorescence quenching by photoinduced electron transfer in the Zn[superscript 2+] sensor Zinpyr-1: a computational investigation
    “...American Chemical Society,...”
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  7. 7
    Benchmark assessment of the accuracy of several van der Waals density functionals
    by Vydrov, Oleg A., Van Voorhis, Troy
    Published 2013
    “...American Chemical Society,...”
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    Article
  8. 8
    Direct-Coupling O₂ Bond Forming Pathway in Cobalt Oxide Water Oxidation Catalysts
    by Wang, Lee-Ping, Van Voorhis, Troy
    Published 2012
    “...American Chemical Society,...”
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    Article
  9. 9
    Mechanistic Evidence for Ligand-Centered Electrocatalytic Oxygen Reduction with the Conductive MOF Ni
    “...American Chemical Society,...”
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  10. 10
    Dynamic current suppression and gate voltage response in metal-molecule-metal junctions
    by Evans, Jeremy S., Van Voorhis, Troy
    Published 2012
    “...American Chemical Society,...”
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    Article
  11. 11
    Electronic Properties of Disordered Organic Semiconductors via QM/MM Simulations
    “...American Chemical Society,...”
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  12. 12
    A Heterogeneous Kinetics Model for Triplet Exciton Transfer in Solid-State Upconversion
    “...American Chemical Society (ACS),...”
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  13. 13
    Constrained Density Functional Theory
    “...American Chemical Society (ACS),...”
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  14. 14
    Bootstrap Embedding for Molecules
    “...American Chemical Society (ACS),...”
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  15. 15
    Polyaniline Nanofiber Electrodes for Reversible Capture and Release of Mercury(II) from Water
    “...American Chemical Society (ACS),...”
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  16. 16
    A Polarizable QM/MM Explicit Solvent Model for Computational Electrochemistry in Water
    by Wang, Lee-Ping, Voorhis, Troy Van
    Published 2013
    “...American Chemical Society (ACS),...”
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    Article
  17. 17
    Geometry of Molecular Motions in Dye Monolayers at Various Coverages
    “...American Chemical Society (ACS),...”
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  18. 18
    Charge Recombination in Phosphorescent Organic Light-Emitting Diode Host-Guest Systems through QM/MM Simulations
    by Zhu, Tianyu, Van Voorhis, Troy
    Published 2018
    “...American Chemical Society (ACS),...”
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    Article
  19. 19
    Computational Design Principles of Two-Center First-Row Transition Metal Oxide Oxygen Evolution Catalysts
    “...American Chemical Society (ACS),...”
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  20. 20
    Condensed phase electron transfer beyond the Condon approximation
    “...American Chemical Society (ACS),...”
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    Article
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