Model based on structure

Nicolas, A. (1986). A melt extraction model based on structural studies in mantle peridotites. J. Petrol., 27, 999-1022. 

Nicolas A., Reuber L, and Benn K. (1988) A new magma chamber model based on structural studies in the Oman Ophiolite. In The Ophiolites of Oman, Tectonophysics, 151 (eds. F. Boudier and A. Nicolas). Elsevier, Amsterdam, pp. 87-105. 

Moriguchi model based on structural parameters - lipophilicity descriptors... 

Hall LH, Hall LM. QSAR modeling based on structure-information for properties of interest in human health. SAR QSAR Environ Res. 2005 16(1-2) 13-41. 

Biochemists, medicinal chemists, and computer chemists have previously tried to identify the pharmacophore for KOR. Their efforts include the following schematic models based on structure-activity relationship (SAR) studies ligand-based... 

Loureiro, R. (2012). Bond graph model based on structural diagnosability and recoverability antilysis Application to intelligent autonomous vehicles [PhD thesis]. L Universite Lille 1. 

The most common activator is known as MAO (methylaluminoxane). MAO is a complex mixture of chemical species, but has the rough C A1 0 stoichiometry of 1 1 1. MAO is prepared from the careful reaction of trimethylaluminum with water. As described earlier, the Rappe group has developed a MAO model based on structural studies and analogy to AIR(NR ) clusters. The model consists of a (AIMeO)9 cluster that has abstracted a Me and has had the resulting two-coordinate oxygen coordinated by the Lewis acidic AlMes. In the following discussion, we refer to this counteranion model as MA09. 

However, when po is maintained constant, a linear van t Hoff plot can no longer be extracted for the compositional variable. This illustrates the fact that w is a composite variable which, as such, does not represent an actual participant in the equilibrium in eq. (23). Two types of models are used to approach these real components (i) a defect-chemistry model, based on solid-state equilibria among variously charged and clustered defects, and (ii) a lattice-gas model, based on structural features of the oxygen sublattice and statistical thermodynamics. 

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