Crystal structures illustrated

Figure 8.1.1 The ZnO or wurtzite crystal structure illustrating the tetrahedral arrangement of oxygen atoms about each zinc atom.

Johnson, C.K. (1976). ORTEP-II A FORTRAN Thermal Elipsoid Plot Program for Crystal Structure Illustrations. Report ORNL-5138. Oak Ridge National Laboratory, Oak Ridge, TN, USA... 

Johnson, C. K. "ORTEP A Fortran Thermal-Ellipsoid Plot Program for Crystal Structure Illustrations", ORNL-3794 Rev.,... 

Figure 3 Development of the number of new crystal structures and homology models published over the years. The overall steady increase is clearly visible, as is the increase in homology and pharmacophore models during (temporary) declines in number of crystal structures, illustrating the complementary nature of experimental structure determination and model building. Publication of structures for isoforms that have been extensively used for homology model building are indicated at the top.

Figure 5 Energetic minimization of the crystal structure of crambin. The minimization takes into consideration 1356 atoms. Elementary cell of the crystal structure illustration of the steepest descent minimization procedure result of the minimization with the force fields Amber and Amber/OPLS (rms root mean square deviation between observed and calculated structure) taken from Jorgensen and Tirado-Rives (1988).

Crystal Structure Illustrations, Oak Ridge National Laboratory, 1965. 

Figure 7.4 Antibody Representations, (a) X-ray crystal structure, (b) Schematic diagram drawn from X-ray crystal structure illustrating the conserved structural features of all antibodies (illustrations a) and b) from Voet, Voet Pratt, 1999 [Wiley], Figs. 7-33 and 7-34 respectively).

Fig. 4.11 Schematic and crystal structure representation of the cocrystal of 4-iodo-cinnamic acid and 1,4-dinitrobenzene crystal structure illustration was generated by retrieving the GIF from Cambridge Stmctural Database (CSD Nov. 2013 release)...

Needless to say, this alteration was successful incorporation of these r-donor groups into azacrowns and diazacrowns with a two carbon spacer resulted in several examples of crystalline complexes in which the n-donor group bound Na", K+, and Ca held within the macrocyclic cavity. X-ray crystal structures, illustrated in Figure 18, showed that the cation- r interactions were of clear importance in the cases of Na+ and K+ but not in the case of Ca + even when the macrocycle was sufficiently large enough to accommodate the latter. ... 

C. K. Johnson, ORTEP—A FORTRAN Thermal-Ellipsoid Plot Programfor Crystal Structure Illustrations, Oak Ridge Natl. Lab., Oak Ridge, TN, Avail. CFSTT (1965) (AEC Accession No. 33516, Rept. No. ORNL-3794 ). From Nucl. Sci. Abstr. 19(17), 4153 (1965). Report written in EngUsh. CAN 64 98554 AN 1966 98554 CAPLUS [Copyright 2007 ACS on SciFinder (R)]. 

M.N. Burnett and C.K. Johnson, ORTEP-III Oak Ridge Thermal Ellipsoid Plot Program for Crystal Structure Illustrations, 1996... 

The graphite crystal structure illustrated in Fig. 14.4 is highly anisotropic, for example Young s modulus in the c-axis, Cn = 3.46 x 10 °N/m whilst in the fl-axis, C33 = 106 X 10 °N/m. Thus the orientation of the crystallites within the microstructure, along with their distribution, will significantly influence the bulk... 

Scheme 5.3. Crystal structures illustrating the conversion of the host-guest compound 3—4 d = 4.97 A, Ri 4 = 3.38 A and < > = 43°) to the corresponding polydiacetylene.

Figure 3.1 Crystal structures (illustrative examples) of lithium etiolates. Copied from Ref [la].

Molecular drawings for this work were prepared using ORTEP, A Fortran Thermal-Ellipsoid Plot program for Crystal Structure Illustrations, authored by Carroll K. Johnson, Oak Ridge National Laboratory, ORNL-7 (second revision),UC.4-Chemistry,1070 ORTFP-II, March 15, 1971 version using the hidden line... 

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