نتایج جستجو برای: crystal field stabilization energy
تعداد نتایج: 1567264 فیلتر نتایج به سال:
We report the cryo-EM structure of bacteriophage lambda and the mechanism for stabilizing the 20-A-thick capsid containing the dsDNA genome. The crystal structure of the HK97 bacteriophage capsid fits most of the T = 7 lambda particle density with only minor adjustment. A prominent surface feature at the 3-fold axes corresponds to the cementing protein gpD, which is necessary for stabilization ...
Rubrene is one of the most studied organic semiconductors to date due to its high charge carrier mobility which makes it a potentially applicable compound in modern electronic devices. Previous electronic device characterizations and first principles theoretical calculations assigned the semiconducting properties of rubrene to the presence of a large overlap of the extended π-conjugated core be...
In the mean field approximation, we evaluate the temperature dependence of the anchoring energy strength of a nematic liquid crystal in contact with a solid substrate due to thermal fluctuations. Our study is limited to the weak anchoring case, where the microscopic surface energy is small with respect to the mean field energy due to the nematic phase. We assume furthermore that the physical pr...
Possible crystal structures of ethyl-tert-butyl ether (ETBE) were predicted by global lattice-energy minimizations using the force-field approach. 33 structures were found within an energy range of 2 kJmol(-1) above the global minimum. Low-temperature crystallization experiments were carried out at 80-160 K. The crystal structure was determined from X-ray powder data. ETBE crystallizes in C2/m,...
A direct molecular dynamics simulation of the THz spectrum of a molecular crystal is presented. A time-dependent electric field is added to a molecular dynamics simulation of a crystal slab. The absorption spectrum is composed from the energy dissipated calculated from a series of applied pulses characterized by a carrier frequency. The spectrum of crystalline cyclotrimethylenetrinitramine (RDX...
We propose a novel two state and all-optical controllable switch using DIT, Kerr effect and interaction between quantum dots (QD) and quantum electrodynamics cavity (CQED). The two state and all-optical controllable switch is coupled to photonic waveguide from a rapid nonlinear environment (photonic crystal) and CQED. We consider the nano-crystal are doped to crystal photonic cavity as a 4-leve...
In the crystal structure of the title compound, C(26)H(27)NO(3), a one-dimensional network of C-H⋯O hydrogen bonds and π-ring inter-actions is responsible for crystal stabilization. Inter-molecular hydrogen bonds and C-H⋯ π inter-actions produce R(2) (2)(10), R(4) (4)(27) and R(4) (4)(29) rings.
The liquid crystal mixture E7, based on cyanobiphenyl, has been successfully employed to map electric field strength and distribution in AlGaN/GaN high electron mobility transistors. Using a transmitted light image through crossed polarizers the optical response of the liquid crystal deposited onto the surface of the devices was recorded as a function of source–drain bias, Vds. At a critical vo...
The vibration-rotation states of a tetrahedral molecule in a field of D3h symmetry are studied by an extended group theory. Symmetry adapted rotational wave functions for the ground and the triply degenerate excited vibrational states are constructed. The crystal field potential is derived explicitly for a tetrahedral molecule in a hexagonal close-packed crystal. As an example, the rovibrationa...
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