Determination of the vibrational frequencies of the Tl2F2 molecule using electron-diffraction data

1975 ◽  
Vol 16 (2) ◽  
pp. 264-266
Author(s):  
V. G. Solomonik ◽  
K. S. Krasnov
Keyword(s):  
Electron Diffraction ◽  
Diffraction Data ◽  
Vibrational Frequencies ◽  
Electron Diffraction Data

scholarly journals Procedure and Computer Programs for the Structure Determination of Gaseous Molecules from Electron Diffraction Data.

1969 ◽  
Vol 23 ◽  
pp. 3224-3234 ◽  
Author(s):  
B. Andersen ◽  
H. M. Seip ◽  
T. G. Strand ◽  
R. Stølevik ◽  
Gunner Borch ◽  
...  
Keyword(s):  
Electron Diffraction ◽  
Diffraction Data ◽  
Structure Determination ◽  
Computer Programs ◽  
Electron Diffraction Data

STRUCTURE DETERMINATION OF THE Ge(111)-(3×1)Ag SURFACE RECONSTRUCTION

1999 ◽  
Vol 06 (06) ◽  
pp. 1061-1065 ◽  
Author(s):  
D. GROZEA ◽  
E. BENGU ◽  
C. COLLAZO-DAVILA ◽  
L. D. MARKS
Keyword(s):  
Electron Diffraction ◽  
Surface Reconstruction ◽  
Diffraction Data ◽  
Structure Determination ◽  
Heavy Atom ◽  
Direct Methods ◽  
Electron Diffraction Data ◽  
Transmission Electron ◽  
First Time

For the first time, during the investigation of the Ag submonolayer on the Ge(111) system, large, independent domains of the Ge (111)-(3×1) Ag phase were imaged and investigated. Previous studies have reported it only as small insets between Ge (111)-(4×4) Ag and Ge (111)- c (2×8) domains. The transmission electron diffraction data were analyzed using a Direct Methods approach and "heavy-atom holography," with the result of an atomic model of the structure similar to that of Ge (111)-(3×1) Ag .

The use of Direct Phasing Methods for Single Crystal Electron Diffraction Data. I. Methylene Subcells

1976 ◽  
Vol 34 ◽  
pp. 544-545
Author(s):  
D. L. Dorset ◽  
H. A. Hauptman
Keyword(s):  
Crystal Structure ◽  
Electron Diffraction ◽  
Diffraction Data ◽  
Crystal Structure Analysis ◽  
Electron Diffraction Data ◽  
Trial And Error ◽  
Mosaic Crystals ◽  
Crystal Electron ◽  
Kinematical Theory

The significant impediment to the use of electron diffraction data for crystal structure analysis is, of course, the perturbation of n-beam dynamical effects. In more severe cases this dynamical perturbation gives an intensity distribution in the diffraction pattern which is not directly related to the underlying crystal structure, thus making the determination of complex structures nearly impossible by this technique.However, as was experimentally established in Vainshtein's laboratory and is theoretically predicted, the diffraction of electrons from thin mosaic crystals composed of light atoms is in accord with kinematical theory to a good first approximation and, furthermore, ab initiocrystal structure analyses are tractable viastandard crystallographic phase determination. To date the few electronographic determinations of unknown organic structures have used either trial and error or Patterson techniques.

EDIFF: a program for automated unit-cell determination and indexing of electron diffraction data

2011 ◽  
Vol 44 (5) ◽  
pp. 1132-1136 ◽  
Author(s):  
Linhua Jiang ◽  
Dilyana Georgieva ◽  
Jan Pieter Abrahams
Keyword(s):  
Electron Diffraction ◽  
Diffraction Data ◽  
Three Dimensional ◽  
Unit Cell ◽  
Electron Diffraction Data ◽  
Cell Determination ◽  
Diffraction Patterns ◽  
Inorganic Molecules ◽  
User Friendly

EDIFFis a new user-friendly software suite for unit-cell determination of three-dimensional nanocrystals from randomly oriented electron diffraction patterns with unknown independent orientations. It can also be used for three-dimensional cell reconstruction from diffraction tilt series. In neither case is exact knowledge of the angular relationship between the patterns required. The unit cell can be validated and the crystal system assigned.EDIFFcan index the reflections in electron diffraction patterns. Thus,EDIFFcan be employed as a first step in reconstructing the three-dimensional atomic structure of organic and inorganic molecules and of proteins from diffraction data. An example illustrates the viability of theEDIFFapproach.

Ab initio structure determination of interlayer expanded zeolites by single crystal rotation electron diffraction

2014 ◽  
Vol 43 (27) ◽  
pp. 10593-10601 ◽  
Author(s):  
Peng Guo ◽  
Leifeng Liu ◽  
Yifeng Yun ◽  
Jie Su ◽  
Wei Wan ◽  
...  
Keyword(s):  
Electron Diffraction ◽  
Single Crystal ◽  
Ab Initio ◽  
Diffraction Data ◽  
Structure Determination ◽  
Electron Diffraction Data ◽  
Crystal Rotation ◽  
Ab Initio Structure ◽  
Crystal Electron

Rotation electron diffraction (RED) combines the beam tilt and goniometer tilt to obtain single crystal electron diffraction data, which has been used forab initiostructure determination of interlayer expanded zeolites.

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