Quantum cascade transitions in nanostructures
... on QCT and describe the QCT in some novel situations, viz. application of an external magnetic field that is parallel, tilted, or perpendicular to the electron plane. Work on magneto-transport and magneto-optical measurements and their interpretation in terms of various relaxation processes is also p ...
... on QCT and describe the QCT in some novel situations, viz. application of an external magnetic field that is parallel, tilted, or perpendicular to the electron plane. Work on magneto-transport and magneto-optical measurements and their interpretation in terms of various relaxation processes is also p ...
Quantum chemical methods for high-energy
... enthalpies, crystal densities, and impact sensitivities is presented. In particular, all calculations presented are density functional theory calculations with the B3LYP functional and the 6-31g(d) basis set. In total, 14 high-energy compounds were investigated, including the known RDX, NTO, and TNT ...
... enthalpies, crystal densities, and impact sensitivities is presented. In particular, all calculations presented are density functional theory calculations with the B3LYP functional and the 6-31g(d) basis set. In total, 14 high-energy compounds were investigated, including the known RDX, NTO, and TNT ...
Optical Properties of Solids
... structure. These experiments are closely related to optical experiments various at discussed are They provide. they information terms of the kind of ...
... structure. These experiments are closely related to optical experiments various at discussed are They provide. they information terms of the kind of ...
Re-evaluating the Cu K pre-edge XAS transition in
... Ar ¼ 2,6-Me2-C6H3; ArF ¼ 3,5-(CF3)2-C6H3) have been studied by Cu K-edge X-ray absorption spectroscopy, as well as single- and multi-reference computational methods (DFT, TD-DFT, CASSCF, MRCI, and OVB). The study was extended to a range of both known and theoretical compounds bearing 2p-element dono ...
... Ar ¼ 2,6-Me2-C6H3; ArF ¼ 3,5-(CF3)2-C6H3) have been studied by Cu K-edge X-ray absorption spectroscopy, as well as single- and multi-reference computational methods (DFT, TD-DFT, CASSCF, MRCI, and OVB). The study was extended to a range of both known and theoretical compounds bearing 2p-element dono ...
Ligand field density functional theory calculation of the 4f²→ 4f¹5d¹
... HSO, the Hamiltonian corresponding to the spin–orbit coupling is important because of the large spin–orbit coupling constant encountered in the praseodymium atom, i.e. z4f = 731 cm1 and z5d = 1012 cm1 observed experimentally.5,39 Therefore, the inclusion of the spin–orbit coupling is also performe ...
... HSO, the Hamiltonian corresponding to the spin–orbit coupling is important because of the large spin–orbit coupling constant encountered in the praseodymium atom, i.e. z4f = 731 cm1 and z5d = 1012 cm1 observed experimentally.5,39 Therefore, the inclusion of the spin–orbit coupling is also performe ...
Document
... The specific activity, depending on the temperature of • preliminary calcination of the catalyst, frequently has a maximum. Figure 5 shows an example of such a relation for silver catalysts of the decomposition of formic acid. As the temperature increases the number of active sit ...
... The specific activity, depending on the temperature of • preliminary calcination of the catalyst, frequently has a maximum. Figure 5 shows an example of such a relation for silver catalysts of the decomposition of formic acid. As the temperature increases the number of active sit ...
Comprehensive analysis of electron correlations in
... The structure of atoms has been studied since the early days of quantum mechanics. Traditionally, the basic conceptual framework for describing a many-electron atom is the independent electron model. In this model each electron can occupy one of the many available ‘‘orbitals’’ which are determined b ...
... The structure of atoms has been studied since the early days of quantum mechanics. Traditionally, the basic conceptual framework for describing a many-electron atom is the independent electron model. In this model each electron can occupy one of the many available ‘‘orbitals’’ which are determined b ...
Chemistry
... Materials and Technology Chemical research and development in the twentieth century have provided us with new materials that have profoundly improved the quality of our lives and helped to advance technology in countless ways. A few examples are polymers (including rubber and nylon), ceramics (such ...
... Materials and Technology Chemical research and development in the twentieth century have provided us with new materials that have profoundly improved the quality of our lives and helped to advance technology in countless ways. A few examples are polymers (including rubber and nylon), ceramics (such ...
Low sticking probability in the nonactivated dissociation of N2
... W共110兲 surface from a different perspective.6,7 Experiments were carried out at Ts = 800 K. At this surface temperature no molecular adsorption takes place. Measurements of the initial sticking coefficient S0 as a function of the N2 initial kinetic energy Ei show that S0 is nearly constant 共⬃10−3兲 f ...
... W共110兲 surface from a different perspective.6,7 Experiments were carried out at Ts = 800 K. At this surface temperature no molecular adsorption takes place. Measurements of the initial sticking coefficient S0 as a function of the N2 initial kinetic energy Ei show that S0 is nearly constant 共⬃10−3兲 f ...
Chemical Bonding in the Ternary Transition Metal Bismuthides
... only slightly longer (301 pm), corner-connecting titaniumtitanium bonds, e.g., Ti(3)-Ti(5). The Ti(3)-Ti(5) COOP curve in the relevant energy region from -18 to -5 eV is almost identical with the curve in panel c and therefore not given here. It is clear that the Ti(2)-Ti(3) bond is much stronger th ...
... only slightly longer (301 pm), corner-connecting titaniumtitanium bonds, e.g., Ti(3)-Ti(5). The Ti(3)-Ti(5) COOP curve in the relevant energy region from -18 to -5 eV is almost identical with the curve in panel c and therefore not given here. It is clear that the Ti(2)-Ti(3) bond is much stronger th ...
ExamView - Chap_Test_v2.tst
... Match the type of compound (ionic or covalent) with the appropriate description. Each type of compound may be used more than once. a. ionic compound b. covalent compound ____ 23. this compound forms when metals react with non-metals ____ 24. molecules exist in this compound ____ 25. the name of this ...
... Match the type of compound (ionic or covalent) with the appropriate description. Each type of compound may be used more than once. a. ionic compound b. covalent compound ____ 23. this compound forms when metals react with non-metals ____ 24. molecules exist in this compound ____ 25. the name of this ...
Structural and optical properties of visible active
... films prepared at low and high Ptot, respectively. Also shown in Fig. 2 are corresponding simulated spectra using SIMNRA, from which the stoichiometry and density of the films were obtained.45 In all cases, the nano-WO3 films exhibited a stoichiometry of WO3x with |x| , 0.1. However, within the uncert ...
... films prepared at low and high Ptot, respectively. Also shown in Fig. 2 are corresponding simulated spectra using SIMNRA, from which the stoichiometry and density of the films were obtained.45 In all cases, the nano-WO3 films exhibited a stoichiometry of WO3x with |x| , 0.1. However, within the uncert ...
Decay of oriented Rydberg wave packets excited with far-infrared radiation
... blue Stark state B. The far-infrared laser wavelength is tuned to the resonances as shown in Fig. 3~a!. In the right column the electron emission transients are shown from the initial state given by the red Stark state ~state A in Fig. 1!. In both cases the far-infrared radiation is polarized perpen ...
... blue Stark state B. The far-infrared laser wavelength is tuned to the resonances as shown in Fig. 3~a!. In the right column the electron emission transients are shown from the initial state given by the red Stark state ~state A in Fig. 1!. In both cases the far-infrared radiation is polarized perpen ...
quantum
... electrons passing through a wall with two suitably arranged holes to a backstop where the positions of the electrons are detected exhibits interference (Figure 1). Electrons at the backstop may be detected with a Geiger counter or an electron multiplier. Feynman et al. explained that this interferen ...
... electrons passing through a wall with two suitably arranged holes to a backstop where the positions of the electrons are detected exhibits interference (Figure 1). Electrons at the backstop may be detected with a Geiger counter or an electron multiplier. Feynman et al. explained that this interferen ...
Sructural and chemisorption properties of metallic surfaces and metallic overlayers
... Al(110) and Ni on W(110)) and the hydrogen interaction with two clean metal surfaces (Nb(110) and W(110)) have been studied using various surface analytical techniques. The results for the Pd/Al system show that the Pd film grows on Al(110) in a layer-by-layer mode. The binding energies of the Pd 4d ...
... Al(110) and Ni on W(110)) and the hydrogen interaction with two clean metal surfaces (Nb(110) and W(110)) have been studied using various surface analytical techniques. The results for the Pd/Al system show that the Pd film grows on Al(110) in a layer-by-layer mode. The binding energies of the Pd 4d ...
Electron-scattering cross sections for 1
... Abstract Cross sections, both experimental and theoretical, are reported for electron scattering from 1-pentene (C5 H10 ) molecules. Absolute grand-total cross sections (TCSs) were measured at electron impact energies ranging from 1 to 300 eV, using a linear electron-transmission technique. The domi ...
... Abstract Cross sections, both experimental and theoretical, are reported for electron scattering from 1-pentene (C5 H10 ) molecules. Absolute grand-total cross sections (TCSs) were measured at electron impact energies ranging from 1 to 300 eV, using a linear electron-transmission technique. The domi ...
Stability of Organic Cations in Solution
... matrix in the as-received samples. Such extra species might act as defect sites and therefore play an important role in defining the electronic behavior of such compounds. Organic−inorganic perovskites, for instance, show ambipolar characteristics (from p-type to intrinsic and n-type) depending on th ...
... matrix in the as-received samples. Such extra species might act as defect sites and therefore play an important role in defining the electronic behavior of such compounds. Organic−inorganic perovskites, for instance, show ambipolar characteristics (from p-type to intrinsic and n-type) depending on th ...
Molecular Geometry and Hybridization
... Hence, in SF6 there are six charge clouds. Rule: In a molecule where there are six charge clouds around the central atom, the arrangement of electron pairs is “Octahedral.” In an octahedral geometry the bond angles from the central atom are 90o and 120o. In general, for a molecule AB6, where A is th ...
... Hence, in SF6 there are six charge clouds. Rule: In a molecule where there are six charge clouds around the central atom, the arrangement of electron pairs is “Octahedral.” In an octahedral geometry the bond angles from the central atom are 90o and 120o. In general, for a molecule AB6, where A is th ...
Characterization of Quinine and Its Determination
... quinine.) If a significant number of molecules are already in a vibrationally excited state before excitation, some overlap occurs in the absorption and emission spectra because less energy is needed to excite these molecules to the S1 level. The types of transitions associated with fluorescence inc ...
... quinine.) If a significant number of molecules are already in a vibrationally excited state before excitation, some overlap occurs in the absorption and emission spectra because less energy is needed to excite these molecules to the S1 level. The types of transitions associated with fluorescence inc ...
Auger electron spectroscopy
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Auger electron spectroscopy (AES; pronounced [oʒe] in French) is a common analytical technique used specifically in the study of surfaces and, more generally, in the area of materials science. Underlying the spectroscopic technique is the Auger effect, as it has come to be called, which is based on the analysis of energetic electrons emitted from an excited atom after a series of internal relaxation events. The Auger effect was discovered independently by both Lise Meitner and Pierre Auger in the 1920s. Though the discovery was made by Meitner and initially reported in the journal Zeitschrift für Physik in 1922, Auger is credited with the discovery in most of the scientific community. Until the early 1950s Auger transitions were considered nuisance effects by spectroscopists, not containing much relevant material information, but studied so as to explain anomalies in x-ray spectroscopy data. Since 1953 however, AES has become a practical and straightforward characterization technique for probing chemical and compositional surface environments and has found applications in metallurgy, gas-phase chemistry, and throughout the microelectronics industry.