منابع مشابه
Structure of molecular liquids.
We present a method for calculating, by computer simulation, the direct correlation function c(1; 2) for a molecular liquid in the form of a spherical harmonic expansion. This allows us to test, at the most fundamental level, predictions of the structure of molecular liquids using density functional and integral equation approaches. As an example, we test some simple ansatzes for c(1; 2) for pr...
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The existing information on the energy exchanges in molecular liquids is briefly reviewed. Main experimental methods are enumerated, and a phenomenological description of the observed material is given. The effects of various competing processes such as bond scission, conformational changes, twist-induced charge transfer, etc, are commented. Theoretical methods employed is this field, as well a...
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Until recently, porous molecular solids were isolated curiosities with properties that were eclipsed by porous frameworks, such as metal-organic frameworks. Now molecules have emerged as a functional materials platform that can have high levels of porosity, good chemical stability, and, uniquely, solution processability. The lack of intermolecular bonding in these materials has also led to new,...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry
سال: 1898
ISSN: 0092-7325,1541-5740
DOI: 10.1021/j150006a001