Computer-generated three-dimensional

AIM theory provides a physical basis for the theory of Lewis electron pairs and the VSEPR model of molecular geometry. Equipped with computers and computer-generated, three-dimensional electron density maps, scientists are able to view molecules and predict molecular phenomena without even having to get off their chairs ... 

Our algorithms were verified by analyzing images from computer generated three-dimensional structures. 

Figure 2.27. A computer-generated three-dimensional model of the macromolecular structure of vitrinite in coal showing porosity between coal substance (Marsh, unpublished results).

A computer-generated three-dimensional model of a possible macromolecule of coal is shown in Figure 2.27. It is a structure-less three-dimensional cage-like aggregate of atoms (C, H, O, N, S) with a water density of about 1.3 gcm. The model shows that the sizes of spaces within the macromolecular system approximate to those of the atoms and demonstrates the presence of microporosity within the coals. 

To solve the first problem of accurate and expert identification of vectors, I created photographically realistic computer-generated three-dimensional (3D) models of the vectors, which could be viewed via a head-mounted display connected to a wearable computer. The models were interactive and so could be manipulated by the viewer via a mouse or toggle input device. The manipulation included rotation in all three axes as well as zooming to any magnification supported by the resolution of the model s surface. The model itself was embedded in an internet-ready HTML web page which could be accessed offline from the computer s hard drive, a flash... 

FIGURE 7 Examples of image analysis methods, (a) Typical spot diagrams of well-corrected images in the focal plane of a 1-deg field. Each Image represents the ray bundle at that field location, (b) Computer-generated three-dimensional plot of intensity in a perfect image that has been diffracted by a circular aperture. 

Ho, C.M., Marshall, G.R. DBMAKER a set of programs to generate three-dimensional databases based upon user-specified criteria./. Comput.-Aided Mol. Des. 1995, 9(1), 65-86. 

Using advances in computer reconstruction methods (see e.g. Kikkinides and Burganos, 2000 Torquato, 2001) and past experience with discrete particle deposit simulations (Konstandopoulos, 2000), we have developed algorithmic as well as process-based reconstruction techniques to generate three-dimensional (3D) digital materials that are faithful representations of DPF microstructures. We refer to this approach as DPF microflow simulation (MicroFlowS). MicroFlowS is thus a short name for a computational approach, which combines... 

CLSM) has been used to generate three-dimensional information on particle size, shape and porosity [141]. The CLSM has been used to measure particle size distribution in situ and ex situ using computer based image analysis system [142]. A model was developed to assess processing conditions to produce a floe with desirable characteristics in an enhanced actinide removal. Ferreira et.al. [143] present some additional methods of measuring wood pulp fibers and compares these with data from CLSM... 

Classification of some active compounds and their inactive analogues using two three-dimensional molecular descriptors derived from computation of three-dimensional convex hulls for structures theoretically generated for them. J. Chem. Inf. Comput. Sci., 40, 1210-1221. 

As well as other anatomical districts, to generate three-dimensional (3D) reconstructions of the middle ear structures, a volumetric acquisition is required. In the case of the tympanic cavity, high-resolution computed tomography is the imaging... 

Three-dimensional structures of small molecules and macromolecules are being generated in record numbers. A database of the X-ray crystal structures of >70,000 small organocarbon compounds and another of several hundred protein and DNA struaures are available to scientists. Furthermore, it is often routine to experimentally determine the three-dimensional structure of a small molecule by single-crystal X-ray diffraction, and it is very easy to build on the computer a three-dimensional structure of a small molecule and to discover most if not all of its low-energy conformations. Finally, there is a... 

C. M. W. Ho and G. R. Marshall, . Comput.-AidedMol. Design, 9,65 (1995). DBMAKER A Set of Programs Designed to Generate Three-Dimensional Databases Based upon User-Specified Criteria. 

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