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Fuzzy assembling

Self-Assembling (SA), Fuzzy Assembling (FA), or Layer-by-Layer Assembling (LBL)... [Pg.1479]

A. De Sehryver, F.C. Schoonheydt, R.A. Fuzzy assembly and seeond harmonic generation of elay-polymer-dye monolayer films. Langmuir 2001. 17. 1243-1249. [Pg.1483]

The approximate transferability of fuzzy fragment density matrices, and the associated technical, computational aspects of the idempotency constraints of assembled density matrices, as well as the conditions for adjustability and additivity of fragment density matrices are discussed in Section 4, whereas in Section 5, an algorithm for small deformations of electron densities are reviewed. The Summary in Section 6 is followed by an extensive list of relevant references. [Pg.58]

Decher, G. (1997). Fuzzy nano-assemblies toward layered polymeric multicomposites. Science, 111, 1232-7. [Pg.276]

The additive fuzzy electron density fragmentation scheme of Mezey is the basis of the Molecular Electron Density Lego Assembler (MEDLA) method [67,70-72], reviewed in section 4. of this report, where additional details and applications in local shape analysis are discussed. The MEDLA method was used for the generation of the first ab initio quality electron densities for macromolecules such as proteins [71,72] and other natural products such as taxol [66],... [Pg.178]

The application of the additive fuzzy electron density fragments for the building of electron densities of large molecules is called the Molecular Electron Density Lego Assembler method, or MEDLA method [5,37,66,67,70-72],... [Pg.193]

Electron density decreases exponentially with distance that suggests that an Additive Fuzzy Density Fragmentation (AFDF) approach can be used for both a fuzzy decomposition and construction of molecular electron densities. The simplest AFDF technique is the Mulliken-Mezey density matrix fragmentation [12,13], that is the basis of both the Molecular Electron Density Loge Assembler (MEDLA) [14-17] and the Adjustable Density Matrix Assembler (ADMA) [18-21] macromolecular quantum chemistry methods. [Pg.616]

Mircea M, D Isidoro M, Maurizi A, Tampieri F, Facchini MC, Decesari S, Fuzzi S (2007) Regional modeling of aerosols using the air quality model BOLCHEM Saharan dust intrusions over Italy. EGU General Assembly, Vienna... [Pg.94]

Supramolecular Assembly via Fuzzy Interactions The driving force for molecular assembly is not always precise and specific. Molecular self-assemblies can also be formed through fuzzy interactions, and these assemblies are relatively flexible. [Pg.76]

The computation of fuzzy electron density fragments and the construction of ab initio quality macromolecular electron densities is a novel approach to the quantum-chemical study and detailed modeling of large molecules. The additive ffizzy density fragmentation (AFDF) scheme of Mezey, described in a general form elsewhere, -is employed in the molecular electron density lego assembler (MEDLA) technique of Walker... [Pg.200]

When Professor Rouvray asked me to write a foreword to Fuzzy Logic in Chemistry, I felt both flattered and challenged flattered because his request made me aware of the existence of applications of fuzzy set theory, or fuzzy logic as it is commonly referred to today, to chemistry—and challenged because the remoteness of chemistry from my fields of expertise makes it difficult for me to comment in specific terms on the contributions assembled in this volume. This is the first volume, as far as I know, to focus on the applications of fuzzy logic to chemistry. [Pg.380]

Local Electron Densities, the Additive Fuzzy Density Fragmentation (AFDF) Principle, and the Adjustable Density Matrix Assembler (ADMA) Method... [Pg.172]

Specific aspects of the quantum chemical concept of local electron densities and functional groups of chemistry have been discussed, with emphasis on the Additive Fuzzy Density Fragmentation (AFDF) Principle, on the Adjustable Density Matrix Assembler (ADMA) Method of using a local density matrix formalism of fuzzy electron density fragments in macromolecular quantum chemistry, and on the fundamental roles of the holographic electron density theorem, local symmetry, and symmetry deficiency. [Pg.185]

The very large amount of data currently available on the Cu2Zn2 SOD enz5mie has enabled a deep understanding of its function and to the rationalization of most aspects of its chemistry and biochemistry. Different techniques have allowed the enzyme to be probed in all its aspects, from the finest details of the active site electronic structure to the overall description of its molecular assembly. The theoretical work has further completed and linked most aspects of this information. However, some parts of the picture are still fuzzy. There are aspects that in our opinion need further study ... [Pg.237]


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See also in sourсe #XX -- [ Pg.1479 ]




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