Problem Solving in Computational Molecular Science 87 Hieraus wird deutlich

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thermostability and liquid crystal properties of aromatic polyamides

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Problem Solving in Computational Molecular Science 87 Hieraus wird deutlichFor all practical purposes the basic physical equations governing the behaviour of a system at the molecular level can only be solved approximately. The key issue in any reliable and accurate computational study in molecular physics and quantum chemistry is the adoption of a suitable model which contains the essential physics and chemistry, is computationally tractable, and preferably amenable to systematic refinement. The provision of advice on the