Fourier component analysis of intramolecular interactions in α-carbofunctional silanes

1979 ◽  
Vol 44 (5) ◽  
pp. 1434-1439 ◽  
Author(s):  
Robert Ponec ◽  
Luboš Dejmek ◽  
Václav Chvalovský
Keyword(s):  
Fourier Analysis ◽  
Internal Rotation ◽  
Component Analysis ◽  
Fourier Component ◽  
Intramolecular Interactions ◽  
Organosilicon Compounds ◽  
Orbital Correlation ◽  
Potential Curves

Fourier analysis of potential curves of internal rotation around the C-X bond in α-carbofunctional organosilicon compounds of the type Y-CH2-X (X = NH2, OH; Y = SiH3, Si(CH3)3) has been used to study the character of intramolecular interactions in relation to the mechanism of the so-called α-effect. The results obtained are in accordance with previous conclusions based on the analysis of orbital correlation diagrams.

Fourier component analysis of internal rotation in β-carbofunctional derivatives of group IVb elements

1980 ◽  
Vol 45 (12) ◽  
pp. 3510-3517 ◽  
Author(s):  
Luboš Dejmek ◽  
Robert Ponec ◽  
Václav Chvalovský
Keyword(s):  
Fourier Analysis ◽  
Internal Rotation ◽  
Component Analysis ◽  
Fourier Component ◽  
Intramolecular Interactions ◽  
Derivatives Of ◽  
Potential Curves

Fourier analysis of potential curves of internal rotation around C-X and C-C bonds of β-carbofunctional derivatives of the type H3M(CH2)2X (M = X, Si, Ge; X = NH2, OH, F) has been performed and the nature of intramolecular interactions in these compounds is discussed.

Fourier components analysis of internal rotation in carbofunctional derivatives of group iv b elements

1980 ◽  
Vol 45 (11) ◽  
pp. 2895-2902 ◽  
Author(s):  
Robert Ponec ◽  
Luboš Dejmek ◽  
Václav Chvalovský
Keyword(s):  
Internal Rotation ◽  
Molecular Conformation ◽  
Component Analysis ◽  
Group Iv ◽  
Fourier Component ◽  
Intramolecular Interactions ◽  
Electronic Effects ◽  
Functional Derivatives ◽  
Components Analysis ◽  
Derivatives Of

On the basis of Fourier component analysis of internal rotation around the C-X bond in α- and β-functional derivatives of the type Y-(CH2)n-X (X = NH2, OH; Y = CH3, SiH3, GeH3; n = 1, 2) the nature of intramolecular interactions in these compounds was analysed. Electronic effects of polarisable silyl and germyl groups were found to be dramatically influenced by the molecular conformation.

FOURIER ANALYSIS OF THE COMPLEX MOTION OF SPIRAL TIPS IN EXCITABLE MEDIA

1995 ◽  
Vol 05 (04) ◽  
pp. 1071-1084 ◽  
Author(s):  
THEO PLESSER ◽  
KARL-HEINZ MÜLLER
Keyword(s):  
Fourier Transform ◽  
Fourier Analysis ◽  
Spiral Wave ◽  
Core Region ◽  
Fourier Component ◽  
Excitable Media ◽  
High Complexity ◽  
Complex Motion ◽  
The Core ◽  
Oregonator Model

An analysis of spiral tip trajectories by complex Fast Fourier Transform (FFT) is presented. The trajectories are obtained from the numerical integration of partial differential equations describing the Oregonator model of an excitable medium. Their analysis shows: (1) There are regions in the (ε, f) parameter space of the model where for a given ε and increasing f up to four frequency branches appear. The frequencies of these branches determine the coarse structure and geometry of the pattern, i.e., the number and the size of their loops, and are called "structural" frequencies. Other frequencies of the spectra are related with the detailed shape of the loops. (2) The interplay of up to four structural frequencies generates regular trajectories of high complexity but no sign of chaos has been found. (3) The spiral wave outside the core region is independent of the complexity of the tip trajectory. It is solely determined by the structural Fourier component with frequency ν and amplitude r that has the highest circular speed c = 2πrν.

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