Hydrogen-filled graph

O Order of neighborhood when ICr reaches its maximum value for the hydrogen-filled graph... 

ICo Mean information content or complexity of a hydrogen-filled graph based on the 0 order neighborhood of vertices 6.57... 

Toropov A, Toropova A (2004) Nearest neighboring code and hydrogen bond index in labeled hydrogen-filled graph and graph of atomic orbitals Application to model of normal boiling points of haloalkanes. J. Mol. Struct. (Theochem) 711 173-183. 

Toropov AA, Toropova AP, Gutman I (2005b) Comparison of QSPR models based on hydrogen-filled graphs and on graphs of atomic orbitals. Croat. Chem. Acta 78 503-509. 

HFG Hydrogen Filled Graph LOGP LOGarithm of the octanol-... 

Order of neighborhood when IC, reaches its maximum value for the hydrogen-filled graph Information content or complexity of the hydrogen-suppressed graph at its maximum neighborhood of vertices... 

Mean information content or complexity of a graph based on the r (r = 0-6) order neighborhood of vertices in a hydrogen-filled graph Structural information content for r" (r = 0-6) order neighborhood of vertices in a hydrogen-filled graph... 

Complementary information content for r " (r = 0-6) order neighborhood of vertices in a hydrogen-filled graph... 

It is to be noted that comparison of the hydrogen-suppressed graph based and the hydrogen-filled graph based optimal descriptors has been carried out in [18]. It has been shown that optimal descriptor based on hydrogen-filled graph improves accuracy prediction of normal boiling points of alkyl alcohols. 

Fig. 5 Hydrogen-suppressed graph and hydrogen-filled graph for uracil...

Hydrogen-filled molecular graph and molecular influence matrix of chlorobenzene, whose three-dimensional structure was optimized by minimizing the conformational energy. 

Labeled Hydrogen-Filled molecular Graph = H-jiUed molecular graph molecular graph... 

This approach can be applied both to hydrogen-filled molecular graph and —> Graph of Atomic Orbitals (GAO). In the first case, types of vertices are the different chemical elements, while in the GAO, types of vertices are the types of atomic orbitals. 

Select cell A 2. Use the EDIT/FILL/SERIES command sequence to establish a radial mesh for the display of the hydrogen Is radial wave function. To construct figl-3.xls mesh intervals of 0.5 Bohr units were chosen and the maximum radius for the graph was set at 8.0 Bohr units. 

Figure 2.27. Graph of the potential wells of hydrogen atoms filled with valence electrons considered as an incompressible fluid. Bonding between two atoms is the result of delocalization of the electron density fluid the vessel for the fluid becomes bigger and the level drops. Similarly, when an electron with spin a (right-slanted) has more space available its average kinetic energy drops. Similarly for spin b (left-slanted). The two fluids with different spins can occupy the same space and ignore each other as a first approximation. Reprinted with permission from the Journal of Chemical Education, Vol 65, 1988, p. 581 copyright 1988, Division of Chemical Education, Inc.

---