Bishnu Thapa

Affiliations: 
Wayne State University, Detroit, MI, United States 
Area:
Ab initio quantum mechanics
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"Bishnu Thapa"
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Publications

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Thapa B, Erickson J, Raghavachari K. (2020) Quantum Mechanical Investigation of Three-Dimensional Activity Cliffs Using the Molecules-in-Molecules Fragmentation-Based Method. Journal of Chemical Information and Modeling
Maier S, Thapa B, Raghavachari K. (2020) G4 accuracy at DFT cost: unlocking accurate redox potentials for organic molecules using systematic error cancellation. Physical Chemistry Chemical Physics : Pccp
Sadhukhan T, Beckett D, Thapa B, et al. (2019) Coupling Constants, High Spin, and Broken Symmetry States of Organic Radicals: an Assessment of the Molecules-in-Molecules Fragmentation-Based Method. Journal of Chemical Theory and Computation
Thapa B, Raghavachari K. (2019) Accurate p Evaluations for Complex Bio-Organic Molecules in Aqueous Media. Journal of Chemical Theory and Computation
Thapa B, Raghavachari K. (2019) Energy Decomposition Analysis of Protein-Ligand Interactions Using Molecules-in-Molecules Fragmentation-Based Method. Journal of Chemical Information and Modeling
Gupta AK, Thapa B, Raghavachari K. (2019) Exploring Reaction Energy Profiles Using the Molecules-in-Molecules Fragmentation-Based Approach. Journal of Chemical Theory and Computation
Thapa B, Hebert SP, Munk BH, et al. (2019) Computational Study of the Formation of C8, C5 and C4 Guanine:Lysine Adducts via Oxidation of Guanine by Sulfate Radical Anion. The Journal of Physical Chemistry. A
Thapa B, Beckett D, Erickson J, et al. (2018) Theoretical Study of Protein-Ligand Interactions Using the Molecules-in-Molecules Fragmentation-Based Method. Journal of Chemical Theory and Computation
Baydoun H, Burdick J, Thapa B, et al. (2018) Immobilization of an Amphiphilic Molecular Cobalt Catalyst on Carbon Black for Ligand-Assisted Water Oxidation. Inorganic Chemistry
Thapa B, Beckett D, Jovan Jose KV, et al. (2018) Assessment of Fragmentation Strategies for Large Proteins Using the Multilayer Molecules-in-Molecules Approach. Journal of Chemical Theory and Computation
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