Regioselective Enzymatic Acylations of Polyhydroxylated Eudesmanes:  Semisynthesis, Theoretical Calculations, and Biotransformation of Cyclic Sulfites

2000 ◽  
Vol 65 (24) ◽  
pp. 8214-8223 ◽  
Author(s):  
Andrés García-Granados ◽  
Enrique Melguizo ◽  
Andrés Parra ◽  
Yolanda Simeó ◽  
Beatriz Viseras ◽  
...  
Keyword(s):  
Theoretical Calculations ◽  
Cyclic Sulfites

Epoxides, Cyclic Sulfites, and Sulfate from Natural Pentacyclic Triterpenoids:  Theoretical Calculations and Chemical Transformations

2003 ◽  
Vol 68 (12) ◽  
pp. 4833-4844 ◽  
Author(s):  
Andrés García-Granados ◽  
Pilar E. López ◽  
Enrique Melguizo ◽  
Juan N. Moliz ◽  
Andrés Parra ◽  
...  
Keyword(s):  
Theoretical Calculations ◽  
Chemical Transformations ◽  
Pentacyclic Triterpenoids ◽  
Cyclic Sulfites

XUV Absorption Spectra of Carbon Ions

1988 ◽  
Vol 102 ◽  
pp. 71-73
Author(s):  
E. Jannitti ◽  
P. Nicolosi ◽  
G. Tondello
Keyword(s):  
Absorption Spectra ◽  
Cross Section ◽  
Theoretical Calculations ◽  
Photoionization Cross Section ◽  
Carbon Ions

AbstractThe photoabsorption spectra of the carbon ions have been obtained by using two laser-produced plasmas. The photoionization cross-section of the CV has been absolutely measured and the value at threshold, σ=(4.7±0.5) × 10−19cm2, as well as its behaviour at higher energies agrees quite well with the theoretical calculations.

Relative Intensities in ED Patterns From Thin Gold Films

1972 ◽  
Vol 30 ◽  
pp. 636-637
Author(s):  
R. H. Morriss ◽  
J. D. C. Peng ◽  
C. D. Melvin
Keyword(s):  
Theoretical Calculations ◽  
Diffraction Theory ◽  
Gold Films ◽  
Reasonable Accuracy ◽  
Experimental Conditions ◽  
Crystal Perfection ◽  
Heavy Atoms ◽  
Fine Focus ◽  
Convergent Beam ◽  
Beam Diffraction

Although dynamical diffraction theory was modified for electrons by Bethe in 1928, relatively few calculations have been carried out because of computational difficulties. Even fewer attempts have been made to correlate experimental data with theoretical calculations. The experimental conditions are indeed stringent - not only is a knowledge of crystal perfection, morphology, and orientation necessary, but other factors such as specimen contamination are important and must be carefully controlled. The experimental method of fine-focus convergent-beam electron diffraction has been successfully applied by Goodman and Lehmpfuhl to single crystals of MgO containing light atoms and more recently by Lynch to single crystalline (111) gold films which contain heavy atoms. In both experiments intensity distributions were calculated using the multislice method of n-beam diffraction theory. In order to obtain reasonable accuracy Lynch found it necessary to include 139 beams in the calculations for gold with all but 43 corresponding to beams out of the [111] zone.

Effects of Higher-Order Laue Zone reflections on structure images

1993 ◽  
Vol 51 ◽  
pp. 450-451
Author(s):  
H. S. Kim ◽  
S. S. Sheinin
Keyword(s):  
Wave Vector ◽  
Theoretical Calculations ◽  
Reciprocal Lattice ◽  
Image Plane ◽  
Bloch Wave ◽  
Dynamical Theory ◽  
Higher Order ◽  
Lattice Image ◽  
Lattice Vector ◽  
Image Position

The importance of image simulation in interpreting experimental lattice images is well established. Normally, in carrying out the required theoretical calculations, only zero order Laue zone reflections are taken into account. In this paper we assess the conditions for which this procedure is valid and indicate circumstances in which higher order Laue zone reflections may be important. Our work is based on an analysis of the requirements for obtaining structure images i.e. images directly related to the projected potential. In the considerations to follow, the Bloch wave formulation of the dynamical theory has been used.The intensity in a lattice image can be obtained from the total wave function at the image plane is given by: where ϕg(z) is the diffracted beam amplitide given by In these equations,the z direction is perpendicular to the entrance surface, g is a reciprocal lattice vector, the Cg(i) are Fourier coefficients in the expression for a Bloch wave, b(i), X(i) is the Bloch wave excitation coefficient, ϒ(i)=k(i)-K, k(i) is a Bloch wave vector, K is the electron wave vector after correction for the mean inner potential of the crystal, T(q) and D(q) are the transfer function and damping function respectively, q is a scattering vector and the summation is over i=l,N where N is the number of beams taken into account.

Theoretical and experimental research on slip and uplift of the timber-concrete composite beam

BioResources ◽  
2020 ◽  
Vol 15 (3) ◽  
pp. 7079-7099
Author(s):  
Jianying Chen ◽  
Guojing He ◽  
Xiaodong (Alice) Wang ◽  
Jiejun Wang ◽  
Jin Yi ◽  
...  
Keyword(s):  
Differential Equations ◽  
Deformation Theory ◽  
Concrete Slab ◽  
Theoretical Calculations ◽  
Structural Element ◽  
Structural Efficiency ◽  
Theoretical Investigations ◽  
New Type ◽  
Interlayer Slip ◽  
Good Agreement

Timber-concrete composite beams are a new type of structural element that is environmentally friendly. The structural efficiency of this kind of beam highly depends on the stiffness of the interlayer connection. The structural efficiency of the composite was evaluated by experimental and theoretical investigations performed on the relative horizontal slip and vertical uplift along the interlayer between composite’s timber and concrete slab. Differential equations were established based on a theoretical analysis of combination effects of interlayer slip and vertical uplift, by using deformation theory of elastics. Subsequently, the differential equations were solved and the magnitude of uplift force at the interlayer was obtained. It was concluded that the theoretical calculations were in good agreement with the results of experimentation.

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