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Analytical Methods in Supramolecular Chemistry Volume 151 || Theoretical Methods for Supramolecular Chemistry

✍ Scribed by Schalley, Christoph


Book ID
111652477
Publisher
Wiley-VCH Verlag GmbH & Co. KGaA
Year
2006
Tongue
German
Weight
516 KB
Edition
1
Category
Article
ISBN
3527315055

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✦ Synopsis


an Overview Of The Techniques Used To Examine Supramolecular Aggregates From A Methodological Point Of View. Edited By A Rising Star In The Community And An Experienced Author, This Is A Definitive Survey Of Useful Modern Analytical Methods For Understanding Supramolecular Chemistry, From Nmr To Single-molecule Spectroscopy, From Electron Microscopy To Extraction Methods. A Definitive Study Of This Field Touching Many Interdisciplinary Areas Such As Molecular Devices, Biology, Bioorganic Chemistry, Material Science, And Nanotechnology.


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Testing electronic structure methods for
✍ Ricard CasadesΓΊs; Miquel Moreno; Γ ngels GonzΓ‘lez-Lafont; JosΓ© M. Lluch; Matthew πŸ“‚ Article πŸ“… 2003 πŸ› John Wiley and Sons 🌐 English βš– 128 KB

In this article a wide variety of computational approaches (molecular mechanics force fields, semiempirical formalisms, and hybrid methods, namely ONIOM calculations) have been used to calculate the energy and geometry of the supramolecular system 2-(2'-hydroxyphenyl)-4-methyloxazole (HPMO) encapsul