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The charge-asymmetric nonlocally determined local-electric (CANDLE) solvation model
American Institute of Physics | 2015| -
The charge-asymmetric nonlocally-determined local-electric (CANDLE) solvation model
Free accessArXiv | 2014| -
The quantum mechanics-based polarizable force field for water simulations
American Institute of Physics | 2018| -
Boron Suboxide and Boron Subphosphide Crystals: Hard Ceramics That Shear without Brittle Failure
American Chemical Society | 2015| -
Ductility in Crystalline Boron Subphosphide (B12P2) for Large Strain Indentation
American Chemical Society | 2017| -
Microalloying Boron Carbide with Silicon to Achieve Dramatically Improved Ductility
American Chemical Society | 2014| -
In Silico Discovery of New Dopants for Fe-Doped Ni Oxyhydroxide (Ni1–x Fe x OOH) Catalysts for Oxygen Evolution Reaction
American Chemical Society | 2018| -
Mechanisms Underlying the Mpemba Effect in Water from Molecular Dynamics Simulations
American Chemical Society | 2015| -
Anomalies in Supercooled Water at ∼230 K Arise from a 1D Polymer to 2D Network Topological Transformation
American Chemical Society | 2019| -
Atomistic Mechanisms Underlying Selectivities in C1 and C2 Products from Electrochemical Reduction of CO on Cu(111)
American Chemical Society | 2017| -
Improved Ductility of B12 Icosahedra-based Superhard Materials through Icosahedral Slip
American Chemical Society | 2017| -
Schottky-Barrier-Free Contacts with Two-Dimensional Semiconductors by Surface-Engineered MXenes
American Chemical Society | 2016| -
Nature of the Active Sites for CO Reduction on Copper Nanoparticles; Suggestions for Optimizing Performance
American Chemical Society | 2017|
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