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Interaction between the Human OX2 Orexin Receptor and Suvorexant and Some of Its Analogues: SAPT (DFT) Interaction Energy Decomposition Analysis
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Simulation of the female pelvic mobility and vesical pressure changes employing fluid-structure interaction method
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10.1007/s00192-022-05362-8 |
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Impact of cone wall roughness on turbulence swirling flow in a cyclone separator
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10.1007/s11696-022-02261-6 |
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Decomposition of the interaction energy of several flavonoids with Escherichia coli DNA Gyr using the SAPT (DFT) method: The relation between the interaction energy components, ligand structure, and biological activity
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A numerical study on combined baffles quick-separation device
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10.1515/ijcre-2021-0007 |
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Darcy and inertial fluid flow simulations in porous media using the non-orthogonal central moments lattice Boltzmann method
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10.1016/j.petrol.2020.107572 |
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Simulation of high-viscosity-ratio multicomponent fluid flow using a pseudopotential model based on the nonorthogonal central-moments lattice Boltzmann method
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10.1103/PhysRevE.101.043311 |
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A numerical study on hydraulic resistance in flow with vegetation patch
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10.1080/09715010.2020.1759152 |
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Development of a three dimensional meshless numerical method for the solution of the Boltzmann equation on complex geometries
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The effect of curvature of Li-doped polycyclic hydrocarbon on its interaction energy with H2 and H2O: DF-SAPT (DFT) calculation
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Energy decomposition analysis of the intermolecular interaction energy between different gas molecules (H 2, O 2, H 2 O, N 2, CO 2, H 2 S, and CO) and selected Li+-doped graphitic molecules: DF-SAPT (DFT) calculations
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On the entropy variations and the Maxwell relations
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A new force field for the adsorption of H2 O2 N2 CO H2O and H2S gases on alkali doped carbon nanotubes
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A multiple relaxation time extension of the constant speed kinetic model
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Application of an Immersed Boundary Treatment in Simulation of Natural Convection Problems with Complex Geometry via the Lattice Boltzmann Method
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A Ghost Fluid Approach for Thermal Lattice Boltzmann Method in Dealing with Heat Flux Boundary Condition in Thermal Problems with Complex Geometries
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Numerical investigation of a stepped planing hull in calm water
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A nodal discontinuous Galerkin lattice Boltzmann method for fluid flow problems
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Introducing a new kinetic model which admits an H-theorem for simulating the nearly incompressible fluid flows
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Application of a ghost fluid approach for a thermal lattice Boltzmann method
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