scholarly journals Electron trajectories in molecular orbitals

2020 ◽  
Vol 120 (20) ◽  
Author(s):  
Isaiah Sumner ◽  
Hannah Anthony
Keyword(s):  
Molecular Orbitals ◽  
Electron Trajectories

An improved magnetic prism design for a transmission electron microscope energy filter

1978 ◽  
Vol 36 (1) ◽  
pp. 40-41 ◽  
Author(s):  
John W. Andrew ◽  
F.P. Ottensmeyer ◽  
E. Martell
Keyword(s):  
Energy Resolution ◽  
Symmetry Plane ◽  
Fringe Field ◽  
Focal Distance ◽  
Electron Trajectories ◽  
Focusing Effect ◽  
Transmission Electron ◽  
Path Lengths ◽  
Electron Microscopes ◽  
Focusing Properties

Energy selecting electron microscopes of the Castaing-Henry prism-mirror-prism design suffer from a loss of image and energy resolution with increasing field of view. These effects can be qualitatively understood by examining the focusing properties of the prism shown in Fig. 1. A cone of electrons emerges from the entrance lens crossover A and impinges on the planar face of the prism. The task of the prism is to focus these electrons to a point B at a focal distance f2 from the side of the prism. Electrons traveling in the plane of the diagram (i.e., the symmetry plane of the prism) are focused toward point B due to the different path lengths of different electron trajectories in the triangularly shaped magnetic field. This is referred to as horizontal focusing; the better this focusing effect the better the energy resolution of the spectrometer. Electrons in a plane perpendicular to the diagram and containing the central ray of the incident cone are focused toward B by the curved fringe field of the prism.

Frontier molecular orbitals of heptalentropones, heptalendiones and their hydroxy and methoxy derivatives. An INDO/S study

1987 ◽  
Vol 84 ◽  
pp. 773-777
Author(s):  
Giuseppe Buemi ◽  
Felice Zuccarello
Keyword(s):  
Molecular Orbitals ◽  
Frontier Molecular Orbitals

Prediction of Antiglycation Activity by Calculating the Energies of Frontier Molecular Orbitals for New 4-Hydroxy-1,4-Dihydroazolo[5,1-c]-1,2,4-Triazines Used as an Example

2020 ◽  
Vol 46 (6) ◽  
pp. 1278-1284
Author(s):  
R. A. Litvinov ◽  
R. A. Drokin ◽  
D. D. Shamshina ◽  
M. Yu. Kalenova ◽  
L. E. Usmianova ◽  
...  
Keyword(s):  
Molecular Orbitals ◽  
Frontier Molecular Orbitals

Simple theoretical models for elimination reactions on polar catalysts; The reactivity of halogeno-, hydroxy-, amino- and mercaptopropane

1982 ◽  
Vol 47 (8) ◽  
pp. 2180-2189 ◽  
Author(s):  
Jiří Sedláček
Keyword(s):  
Theoretical Models ◽  
Molecular Orbitals ◽  
Localized Molecular Orbitals ◽  
Hydroxy Amino ◽  
Elimination Reactions ◽  
Simple Models

CNDO/2 calculations have been made for simple models of the adsorption of (CH3)2CHZ molecules (Z = Cl, OH, NH2, and SH) on the surface of polar catalysts. The results of these calculations and their interpretation by the method of configuration analysis in terms of uniformly localized molecular orbitals made it possible to explain satisfactorily a series of experimental facts. The mechanism and stereoselectivity of the reaction as well as reactivity trends for the series of the molecules studied are discussed.

ChemInform Abstract: A DERIVATION OF THE SHAPES AND ENERGIES OF THE MOLECULAR ORBITALS OF 1,3-DIPOLES. GEOMETRY OPTIMIZATIONS OF THESE SPECIES BY MINDO 2 AND MINDO 3

1977 ◽  
Vol 8 (15) ◽  
pp. no-no
Author(s):  
P. CARAMELLA ◽  
R. W. GANDOUR ◽  
J. A. HALL ◽  
C. G. DEVILLE ◽  
K. N. HOUK
Keyword(s):  
Molecular Orbitals

The calculation of molecular orbitals

1980 ◽  
Vol 64 ◽  
pp. 300
Author(s):  
W.J. Orville-Thomas
Keyword(s):  
Molecular Orbitals
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