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81.
82.
The $t\bar t$ system allows a truly perturbative treatment of the potential. Completing previous computations, we calculate the contributions of QCD box graph corrections, which make the “relativistic”O(α 4) corrections in the non-Abelian case differ from the well known corrections of the same order in QED.  相似文献   
83.
84.
This paper presents a new derivation of the twist mapping in the planar restricted problem. It differs from other treatments in the use of a novel canonical transformation which allows for the utilization of symplectic reduction techniques.  相似文献   
85.
A Lewis basic platinum(0)–CO complex supported by a diphosphine ligand and B(C6F5)3 act cooperatively, in a manner reminiscent of a frustrated Lewis pair, to activate small molecules such as hydrogen, CO2, and ethene. This cooperative Lewis pair facilitates the coupling of CO and ethene in a new way.  相似文献   
86.
87.
This work characterizes the adsorption, structure, and binding mechanism of oxygenated organic species from cyclohexane solution at the liquid/solid interface of optically flat alumina-supported palladium nanoparticle surfaces prepared by atomic layer deposition (ALD). The surface-specific nonlinear optical vibrational spectroscopy, sum-frequency generation (SFG), was used as a probe for adsorption and interfacial molecular structure. 1-Hexanoic acid is an overoxidation product and possible catalyst poison for the aerobic heterogeneous oxidation of 1-hexanol at the liquid/solid interface of Pd/Al(2)O(3) catalysts. Single component and competitive adsorption experiments show that 1-hexanoic acid adsorbs to both ALD-prepared alumina surfaces and alumina surfaces with palladium nanoparticles, that were also prepared by ALD, more strongly than does 1-hexanol. Furthermore, 1-hexanoic acid adsorbs with conformational order on ALD-prepared alumina surfaces, but on surfaces with palladium particles the adsorbates exhibit relative disorder at low surface coverage and become more ordered, on average, at higher surface coverage. Although significant differences in binding constant were not observed between surfaces with and without palladium nanoparticles, the palladium particles play an apparent role in controlling adsorbate structures. The disordered adsorption of 1-hexanoic acid most likely occurs on the alumina support, and probably results from modification of binding sites on the alumina, adjacent to the particles. In addition to providing insight on the possibility of catalyst poisoning by the overoxidation product and characterizing changes in its structure that result in only small adsorption energy changes, this work represents a step toward using surface science techniques that bridge the complexity gap between fundamental studies and realistic catalyst models.  相似文献   
88.
The association and dissociation of ligands plays a vital role in determining the reactivity of organometallic catalysts. Computational studies with density functional theory often fail to reproduce experimental metal-ligand bond energies, but recently functionals which better capture dispersion effects have been developed. Here we explore their application and discuss future challenges for computational studies of organometallic catalysis.  相似文献   
89.
90.
The inexorable miniaturisation of technologies, the relentless drive to improve efficiency and the enticing prospect of boosting performance through quantum effects are all compelling reasons to investigate microscopic machines. Thermal absorption machines are a particularly interesting class of device that operate autonomously and use only heat flows to perform a useful task. In the quantum regime, this provides a natural setting in which to quantify the thermodynamic cost of various operations such as cooling, timekeeping or entanglement generation. This article presents a pedagogical introduction to the physics of quantum absorption machines, covering refrigerators, engines and clocks in detail.  相似文献   
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