scholarly journals Erratum: ΔMj transitions in homonuclear molecule scattering off corrugated surfaces. Square and rectangular lattice symmetry and purely repulsive interaction [J. Chem. Phys. 80, 3845 (1984)]

1984 ◽  
Vol 81 (9) ◽  
pp. 4182-4182
Author(s):  
T. R. Proctor ◽  
D. J. Kouri ◽  
R. B. Gerber
Keyword(s):  
Chem Phys ◽  
Repulsive Interaction ◽  
Rectangular Lattice ◽  
Lattice Symmetry ◽  
Corrugated Surfaces ◽  
Molecule Scattering ◽  
Homonuclear Molecule

scholarly journals Interplay Between the Repulsive and Attractive Interaction and the Spacial Dimensionality of an Excess Electron in a Simple Fluid

2003 ◽  
Vol 02 (02) ◽  
pp. 129-138
Author(s):  
Ashok Sethia ◽  
Eric R. Bittner ◽  
Fumio Hirata
Keyword(s):  
Three Dimensional ◽  
Chem Phys ◽  
Volume Effect ◽  
Excess Electron ◽  
Attractive Interaction ◽  
Repulsive Interaction ◽  
Solvated Electron ◽  
Solvent Interaction ◽  
Solvent Atom ◽  
Excluded Volume Effect

The behavior of an excess electron in a one, two and three dimensional classical liquid has been studied with the aid of Chandler, Singh and Richardson (CSR) theory [J. Chem. Phys.81, 1975 (1984)]. The size or dispersion of the wavepacket associated with the solvated electron is very sensitive to the interaction between the electron and fluid atoms, and exhibits complicated behavior in its density dependence. The behavior is interpreted in terms of an interplay among four causes: the excluded volume effect due to solvent, the pair attractive interaction between the electron and a solvent atom, the thermal wavelength of the electron (λe), a balance of the attractive interactions from different solvent atoms and the range of repulsive interaction between electron and solvent atom. Electron self-trapping behavior in all the dimensions has been studied for the same solvent-solvent and electron-solvent interaction potential and the results are presented for the same parameter in every dimension to show the comparison between the various dimensions.

Model of Diatomic Homonuclear Molecule Scattering by Atom or Barriers

2016 ◽  
pp. 511-524
Author(s):  
A. A. Gusev ◽  
O. Chuluunbaatar ◽  
S. I. Vinitsky ◽  
L. L. Hai ◽  
V. L. Derbov ◽  
...  
Keyword(s):  
Molecule Scattering ◽  
Homonuclear Molecule

Computer Indexing of Electron Diffraction Patterns Including the Effects of Lattice Symmetry

1977 ◽  
Vol 35 ◽  
pp. 22-23
Author(s):  
J. S. Lally ◽  
R. J. Lee
Keyword(s):  
Electron Diffraction ◽  
Zone Axis ◽  
Crystal Thickness ◽  
Double Diffraction ◽  
Automated Method ◽  
Lattice Symmetry ◽  
Intensity Calculations ◽  
Unknown Structure ◽  
Diffraction Patterns ◽  
Orientation Parameters

In the 50 year period since the discovery of electron diffraction from crystals there has been much theoretical effort devoted to the calculation of diffracted intensities as a function of crystal thickness, orientation, and structure. However, in many applications of electron diffraction what is required is a simple identification of an unknown structure when some of the shape and orientation parameters required for intensity calculations are not known. In these circumstances an automated method is needed to solve diffraction patterns obtained near crystal zone axis directions that includes the effects of systematic absences of reflections due to lattice symmetry effects and additional reflections due to double diffraction processes.Two programs have been developed to enable relatively inexperienced microscopists to identify unknown crystals from diffraction patterns. Before indexing any given electron diffraction pattern, a set of possible crystal structures must be selected for comparison against the unknown.

Cryo-Electron Microscopy and Correlation Averaging of Frozen-Hydrated, Polymorphic 2D Crystals of the Mitochondrial Outer Membrane Channel

1990 ◽  
Vol 48 (1) ◽  
pp. 100-101
Author(s):  
Xiao-Wei Guo
Keyword(s):  
Outer Membrane ◽  
Hexagonal Lattice ◽  
Mitochondrial Outer Membrane ◽  
Rectangular Lattice ◽  
Electron Microscopic ◽  
Cryo Electron Microscopy ◽  
Voltage Dependent ◽  
Outer Membrane Channel ◽  
2D Crystals ◽  
Vdac Channel

Voltage-dependent, anion-selective channels (VDAC) are formed in the mitochondrial outer membrane (mitOM) by a 30-kDa polypeptide. These channels form ordered 2D arrays when mitOMs from Neurospora crassa are treated with soluble phospholipase A2. We obtain low-dose electron microscopic images of unstained specimens of VDAC crystals preserved in vitreous ice, using a Philips EM420 equipped with a Gatan cryo-transfer stage. We then use correlation analysis to compute average projections of the channel crystals. The procedure involves Fourier-filtration of a region within a crystal field to obtain a preliminary average that is subsequently cross-correlated with the entire crystal. Subregions are windowed from the crystal image at coordinates of peaks in the cross-correlation function (CCF, see Figures 1 and 2) and summed to form averages (Figure 3).The VDAC channel forms several different types of crystalline arrays in mitOMs. The polymorph first observed during phospholipase treatment is a parallelogram array (a=13 run, b=11.5 run, θ==109°) containing 6 water-filled pores per unit cell. Figure 1 shows the CCF of a sub-field of such an “oblique” array used to compute the correlation average of Figure 3A. With increased phospholipase treatment, other polymorphs are observed, often co-existing within the same crystal. For example, two distinct (but closely related) types of lattices occur in the field corresponding to the CCF of Figure 2: a “contracted” version of the parallelogram lattice (a=13 run, b=10 run, θ=99°), and a near-rectangular lattice (a=8.5 run, b=5 nm). The pattern of maxima in this CCF suggests that a third, near-hexagonal lattice (a=4.5 nm) may also be present. The correlation averages of Figures 3B-D were computed from polycrystalline fields, using peak coordinates in regions of CCFs corresponding to each of the three lattice types.

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