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Modulating the reactivity of chromone and its derivatives through encapsulation in a self-assembled phenylethynylene bis......

2020-02-26
Theoretical Modeling of Thermal Decomposition of Methylnaphthalene Derivatives: Influence of Substituents

2020-02-26
Molecular dynamics simulation of physicochemical properties of the asphalt model

2020-02-26
Detailed Molecular Dynamics Simulation of the Structure and Self-Diffusion of Linear and Cyclic n-Alkanes in Melt and Bl......

2020-02-26
C2H2-Induced Surface Restructuring of Pd–Ag Catalysts: Insights from Theoretical Modeling

2020-02-26
Influence of Copolyester Composition on Adhesion to Soda-Lime Glass via Molecular Dynamics Simulations

2020-02-26
Bayesian calibration of coarse-grained forces: Efficiently addressing transferability

2020-02-26
Microscopic Dynamics and Topology of Polymer Rings Immersed in a Host Matrix of Longer Linear Polymers: Results from a D......

2020-02-26
Molecular Simulation of n-Octacosane–Water Mixture in Titania Nanopores at Elevated Temperature and Pressure

2020-02-26
Carbon Dioxide Solubilities and Diffusivities in 1-Alkyl-3-Methylimidazolium Tricyanomethanide Ionic Liquids: An Experim......

2020-02-26

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