Carbo-Dorca, R., & Gallegos, S. A. (2009b). Notes on quantitative structure-properties relationships (QSPR) part 2: The role of the number of atoms as a molecular descriptor. Journal of Computational Chemistry, 30(13), 2099-2104.
Notes on quantitative structure-properties relationships (QSPR) part 2: The role of the number of atoms as a molecular descriptorNotes on quantitative structure-properties relationships (QSPR) part 2: The role of the number of atoms as a molecular descriptordoi:10.1002/jcc.21208number...
structure tasks. This is because that a few atoms or functional groups and their spatial structures are ignored by the separate tokenizer for the convenience of forming substring patterns, while attention for specific atoms or functional groups is important especially for chemical reaction classification...
and light-absorption properties of HULIS and other parts of OA with low and high polarity in PM0.95(particles with a diameter smaller than 0.95 μm) at Tomakomai Experimental Forest (TOEF) were investigated with consideration of the possible sources of the OA fractions. The seasonal variations o...
Isotopes Atoms of the same element Have different number of neutrons, but the same number of protons & electrons They have the same atomic #,but different mass # because of the # of neutrons Ex. (O-16, O-17, and O-18) Each O has 8 protons, but the neutrons vary ...
The ZnO structure forms an IZO structure even with a small amount of In. As can be observed from the XPS results, it can be determined that as the In concentration increases, In atoms replace and occupy Zn sites. The donor generated under the influence of In atoms provides free electrons ...
Versions Notes Abstract The purpose of this paper is to infer a dynamic graph as a global (collective) model of time-varying measurements at a set of network nodes. This model captures both pairwise as well as higher order interactions (i.e., more than two nodes) among the nodes. The ...
Antibodies currently represent the most valuable category of biopharmaceuticals for both diagnostic and therapeutic applications. They are a class of Y-shaped proteins capable of specifically recognizing and binding to a virtually infinite number of antigens. Being able to identify the antigen-binding res...
Says scientists have used supercomputers and a mathematical technique to determine the structure of the antibiotic molecule gramicidin-A, which contains 317 atoms. Using a computer instead of crystallography techniques reduced the time to determine the structure of gramicidin-A from 14 years to three ...
Figure 1. Visualization of favorable Cr2SiN4 modifications: (a)α-Cr2SiN4-type in space group Pma2 (no. 28); (b)β-Cr2SiN4-type in space group P-1 (no. 2). Green, red, and yellow spheres denote Cr, Si, and N atoms, respectively. Table 2. The modifications, space groups, un...