Wetting of water on hexagonal boron nitride@Rh(111): a QM/MM model based on atomic charges derived for nano-structured substrates.
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The Influence of Intrinsic Framework Flexibility on Adsorption in Nanoporous Materials.Rational Design of a Low-Cost, High-Performance Metal-Organic Framework for Hydrogen Storage and Carbon Capture.Nanolayering around and thermal resistivity of the water-hexagonal boron nitride interface.Effective charges of ionic liquid determined self-consistently through combination of molecular dynamics simulation and density-functional theory.Optimization and benchmarking of a perturbative Metropolis Monte Carlo quantum mechanics/molecular mechanics program.Introducing DDEC6 atomic population analysis: part 2. Computed results for a wide range of periodic and nonperiodic materialsEditorial: Quantum Mechanical/Molecular Mechanical Approaches for the Investigation of Chemical Systems - Recent Developments and Advanced Applications
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P2860
Wetting of water on hexagonal boron nitride@Rh(111): a QM/MM model based on atomic charges derived for nano-structured substrates.
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name
Wetting of water on hexagonal boron nitride@Rh
@nl
Wetting of water on hexagonal ...... or nano-structured substrates.
@en
type
label
Wetting of water on hexagonal boron nitride@Rh
@nl
Wetting of water on hexagonal ...... or nano-structured substrates.
@en
prefLabel
Wetting of water on hexagonal boron nitride@Rh
@nl
Wetting of water on hexagonal ...... or nano-structured substrates.
@en
P2860
P356
P1476
Wetting of water on hexagonal ...... for nano-structured substrates
@en
P2093
Marcella Iannuzzi
P2860
P304
14307-14316
P356
10.1039/C4CP04638B
P407
P577
2015-06-01T00:00:00Z