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It is now virtually the only technique employed in the computational investigation of molecules.
"Computational Investigation of Surface Freezing in a Molecular Model of Water," Amir Haji-Akbari, Pablo G. Debenedetti.
We present a computational investigation of binding affinity of different types of drugs with chitin nanocarriers.
A theoretical and computational investigation of convection, diffusion, and adsorption is presented.
An experimental and computational investigation of gas separation in adsorbent-coated microchannels is performed.
Huynh, M. T., Wang, W., Rauchfuss, T. B. & Hammes-Schiffer, S. Computational investigation of [FeFe]-hydrogenase models: characterization of singly and doubly protonated intermediates and mechanistic Insights.
Ferguson AL, Zhang SY, Dikiy I, Panagiotopoulos AZ, Debenedetti PG, Link AJ: An Experimental and Computational Investigation of Spontaneous Lasso Formation in Microcin J25.
This paper presents an experimental and computational investigation of the thermal conductivity enhancement in a bakelite graphite composite material.
The present study exemplifies this with a computational investigation of neutral gas flow in the ITER's sub-divertor region.
This paper presents computational investigation of a novel design of composite material axial water turbine using Computational Fluid Dynamics CFDD).
We provide a description and computational investigation of an efficient method to stochastically generate realistic pore structures.
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