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The Hartree-Fock-Popov theory of interacting Bose particles is developed, for modeling exciton-polaritons in semiconductor microcavities undergoing Bose-Einstein condensation. A self-consistent treatment of the linear exciton-photon coupling and of the exc ...
Synthetic boron-doped diamond (BDD) thin film is an electrode material with high chemical and dimensional stability, low background current and a very wide potential window of water stability. Upon anodic polarization, BDD generates hydroxyl radicals that ...
Ethanol production from lignocellulosic residues has potential to significantly improve sustainability of biofuels for transport by avoiding land-use competition with food crops and reducing impacts related to agricultural inputs. However, high production ...
Anew, to our knowledge, group contribution method based on the group contribution method of Mavrovouniotis is introduced for estimating the standard Gibbs free energy of formation (Delta(f)G'(degrees)) and reaction (Delta(r)G'(degrees)) in biochemical syst ...
In this thesis, I report state-resolved measurements of the chemisorption probability of CH4 on Pt(111) and Pt(110)-(1×2) for several rovibrationally excited states (2ν3, ν1+ν4, and 2ν2+ν4) in addition to the ground state. Measurements of the state resolve ...
Molecular dynamics simulation is one of the most useful methods to model defect generation and subsequent change in mechanical properties in material that will suffer irradiation in the future fusion reactors. This work is aimed at showing the influence of ...
In view of the prime importance of the biomass yield in microbial growth for research, for environmental and for industrial applications some thermodynamic concepts are reviewed that were developed over the years in order to understand the large variations ...
Surfactant-templated layered silicates are shown to possess complex compositional, structural, and dynamic features that manifest rich and interrelated order and disorder at molecular length scales. Temperature-dependent 1D and 2D solid-state Si-29 NMR mea ...
The homoditopic ligand 6,6’- [methylenebis(1-methyl-1H-benzimid- azole-5,2-diyl)]bis(4-{2-[2-(2-methoxy- ethoxy)ethoxy]ethoxy}pyridine-2-carboxylic acid) (H2LC2) has been tailored to self-assemble with lanthanide ions (LnIII), which results in the formatio ...
Geometry and energy of the reactant (UO2(OH2)(5)center dot Cl+), the transition state (UO2(OH2)(5)center dot center dot center dot Cl+ double dagger), and the product (UO2Cl(OH2)(4)center dot OH2+) of the title reaction have been computed with complete act ...