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Electrostatics ofhost-guestinteractions fromcharge densityanalysis of neutralcomplexes of18-crown-6 Mark A. SpackmanRebecca O. FullerAlexandre N. Sobolev2011 год

Electrostatics of host-guest interactions from charge density analysis of neutral complexes of 18-crown-6
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Аннотация: Sessions C508It is concluded that the charge flipping is a good method to reconstruct the electron density distribution of illite polytype from which the rotation between adjacent M layers can be observed.
Год издания: 2011
Авторы: Mark A. Spackman, Rebecca O. Fuller, Alexandre N. Sobolev, Phil A. Schauer, S. Grabowsky, George A. Koutsantonis
Издательство: Wiley
Источник: Acta Crystallographica Section A Foundations of Crystallography
Ключевые слова: Molecular Sensors and Ion Detection, Nonlinear Optical Materials Research, Crystallography and molecular interactions