منابع مشابه
Natural orbital functional theory: Molecules and polymers
A natural orbital functional (NOF) satisfying the properties of the reduced density matrices is critically reviewed. Test calculations of the total and ionization energies, dipole moments, equilibrium geometries and harmonic vibrational frequencies of several molecules in the ground state demonstrate the reliability of the formalism. The extension of NOF theory to calculate correlation energies...
متن کاملMicrobial degradation of natural and of new synthetic polymers.
In landfills, deposited waste material is usually faced with strictly anoxic conditions. This means that the design of new biodegradable polymers must take into consideration that degradation should be possible especially in the absence of molecular oxygen. Poly-beta-hydroxybutyrate is depolymerized by the anaerobic fermenting bacterium Ilyobacter delafieldii through an extracellular hydrolase....
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ژورنال
عنوان ژورنال: Macromolecular Rapid Communications
سال: 2019
ISSN: 1022-1336,1521-3927
DOI: 10.1002/marc.201970021